Murcko scaffold
Ring system with 3 rings and 21 atoms
52 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 21
- Chemicals
- 52
- With full pages
- 5
Scaffold SMILES
O=C(NC(=S)Nc1cc2c(s1)CCCC2)c1ccccc1
A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.
Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.
Chemicals with this scaffold
Open one to see its structure, properties and suppliers.
Showing 1 to 48 of 52 chemicals
![N-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide chemical structure, C17H15N3OS2, CAS 121746-08-5](/s/IBQJWZNNSYUOII-UHFFFAOYSA-N.svg)
N-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
CAS 121746-08-5C17H15N3OS2
![Ethyl 2-(3-benzoylthioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate chemical structure, C19H20N2O3S2, CAS 53162-41-7](/s/NYYMFKPBLSKASM-UHFFFAOYSA-N.svg)
Ethyl 2-(3-benzoylthioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CAS 53162-41-7C19H20N2O3S2
![Ethyl 2-({[(4-fluorobenzoyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C19H19FN2O3S2, CAS 300828-40-4](/s/JMUCAIZQGCOGMM-UHFFFAOYSA-N.svg)
Ethyl 2-({[(4-fluorobenzoyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 300828-40-4C19H19FN2O3S2
![Ethyl 2-({[(2-methylbenzoyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C20H22N2O3S2, CAS 425680-70-2](/s/KBVWYICBPKAEPE-UHFFFAOYSA-N.svg)
Ethyl 2-({[(2-methylbenzoyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 425680-70-2C20H22N2O3S2
![Ethyl 2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C20H22N2O3S2, CAS 428473-27-2](/s/PXAFEYFUDYWZSU-UHFFFAOYSA-N.svg)
Ethyl 2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 428473-27-2C20H22N2O3S2
![N-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-methylbenzamide chemical structure, C18H17N3OS2, CAS 461033-35-2](/s/AKMKGSBWOLMTFY-UHFFFAOYSA-N.svg)
N-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-methylbenzamide
CAS 461033-35-2C18H17N3OS2
![Ethyl 2-({[(3-methoxyphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C20H22N2O4S2, CAS 426217-82-5](/s/STTUKRMOCVLUPU-UHFFFAOYSA-N.svg)
Ethyl 2-({[(3-methoxyphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 426217-82-5C20H22N2O4S2
2-(Benzoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CAS 351161-41-6C17H16N2O3S2
![2-[(2-Chlorobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide chemical structure, C17H16ClN3O2S2, CAS 301224-42-0](/s/ZAVPVROTYBRSOP-UHFFFAOYSA-N.svg)
2-[(2-Chlorobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS 301224-42-0C17H16ClN3O2S2
![2-[(3-Bromo-4-methylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide chemical structure, C18H18BrN3O2S2, CAS 642980-06-1](/s/BAXJIFILTBCBFG-UHFFFAOYSA-N.svg)
2-[(3-Bromo-4-methylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS 642980-06-1C18H18BrN3O2S2
![2-[(4-Fluorobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide chemical structure, C17H16FN3O2S2, CAS 446310-06-1](/s/KGRDWVFUDUCBBM-UHFFFAOYSA-N.svg)
2-[(4-Fluorobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS 446310-06-1C17H16FN3O2S2
![2-[(2-Bromobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide chemical structure, C17H16BrN3O2S2, CAS 446310-04-9](/s/VITVGUFEQBHRPG-UHFFFAOYSA-N.svg)
2-[(2-Bromobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS 446310-04-9C17H16BrN3O2S2
![2-(3-(2,4-Dichlorobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide chemical structure, C17H15Cl2N3O2S2, CAS 372499-36-0](/s/HTJOHHNTVUDNJN-UHFFFAOYSA-N.svg)
2-(3-(2,4-Dichlorobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CAS 372499-36-0C17H15Cl2N3O2S2
![Ethyl 2-[(2-fluorobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C19H19FN2O3S2, CAS 381173-29-1](/s/WBJKMOKZHZKPIE-UHFFFAOYSA-N.svg)
Ethyl 2-[(2-fluorobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 381173-29-1C19H19FN2O3S2
![Ethyl 2-[(2-methoxybenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C20H22N2O4S2, CAS 371140-46-4](/s/BMSNKWXTEVVHSB-UHFFFAOYSA-N.svg)
Ethyl 2-[(2-methoxybenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 371140-46-4C20H22N2O4S2
![Ethyl 2-({[(3-fluorophenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C19H19FN2O3S2, CAS 425684-42-0](/s/NJVIOBGYUVIUNA-UHFFFAOYSA-N.svg)
Ethyl 2-({[(3-fluorophenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 425684-42-0C19H19FN2O3S2
![Ethyl 2-({[(5-chloro-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C20H21ClN2O4S2, CAS 364381-45-3](/s/OFLUDLRIWHZYRG-UHFFFAOYSA-N.svg)
Ethyl 2-({[(5-chloro-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 364381-45-3C20H21ClN2O4S2
![Ethyl 2-({[(5-bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C20H21BrN2O4S2, CAS 428480-53-9](/s/YWGHJQHRQGMSHI-UHFFFAOYSA-N.svg)
Ethyl 2-({[(5-bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 428480-53-9C20H21BrN2O4S2
![Ethyl 2-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C22H26N2O3S2, CAS 428852-25-9](/s/WPZSMJDVVRYYKP-UHFFFAOYSA-N.svg)
Ethyl 2-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 428852-25-9C22H26N2O3S2
![Methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate chemical structure, C18H17BrN2O3S2, CAS 370575-35-2](/s/VPAUGJPEIKAPBH-UHFFFAOYSA-N.svg)
Methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CAS 370575-35-2C18H17BrN2O3S2
![Ethyl 2-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C20H22N2O4S2, CAS 303023-94-1](/s/HPKSDAJQAMBEHL-UHFFFAOYSA-N.svg)
Ethyl 2-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 303023-94-1C20H22N2O4S2
![Ethyl 2-({[(2-bromophenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C19H19BrN2O3S2, CAS 297762-63-1](/s/KVIJIIDRDHYEBN-UHFFFAOYSA-N.svg)
Ethyl 2-({[(2-bromophenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 297762-63-1C19H19BrN2O3S2
![Ethyl 2-[(4-ethylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C21H24N2O3S2, CAS 671773-20-9](/s/UBVHAXPEGIQXRV-UHFFFAOYSA-N.svg)
Ethyl 2-[(4-ethylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 671773-20-9C21H24N2O3S2
![2-Chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide chemical structure, C18H16ClN3OS3, CAS 445239-71-4](/s/LUYHPVBZNDXHGD-UHFFFAOYSA-N.svg)
2-Chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide
CAS 445239-71-4C18H16ClN3OS3
- Ethyl 2-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate445239-85-0C20H21ClN2O3S3
- 2-[(5-Bromo-2-methoxybenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide445418-89-3C18H18BrN3O3S2
- Ethyl 2-({[(3-chlorophenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate6416-94-0C19H19ClN2O3S2
- Ethyl 2-[(4-methylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate297762-60-8C20H22N2O3S2
- Ethyl 2-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate425666-85-9C19H19BrN2O3S2
- Ethyl 2-({[(3-bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate385389-69-5C20H21BrN2O4S2
- Ethyl 2-({[(4-methoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate428458-87-1C20H21N3O6S2
- Ethyl 2-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate428498-79-7C21H23N3O6S2
- 2-[(3-Nitrobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide446310-10-7C17H16N4O4S2
- Ethyl 2-(benzoylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate374920-20-4C20H22N2O3S2
- 2-[(4-Bromobenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide370576-17-3C18H18BrN3O2S2
- 2-[(4-Fluorobenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide370573-68-5C18H18FN3O2S2
- Ethyl 2-(benzoylcarbamothioylamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate351008-67-8C20H22N2O3S2
- Ethyl 2-({[(2-nitrophenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate428476-75-9C19H19N3O5S2
- N-[(3-Cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide380580-01-8C18H17N3OS2
- Ethyl 2-[(3,4-difluorobenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate370575-02-3C20H20F2N2O3S2
- N-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3-(2-methylpropoxy)benzamide665013-15-0C21H23N3O2S2
- 6-tert-Butyl-2-[(3-methylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide640757-52-4C22H27N3O2S2
- N-[(3-Cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide642422-69-3C22H25N3O3S2
- N-[(6-tert-Butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,4-dimethoxybenzamide694519-46-5C23H27N3O3S2
- 2-[(2-Iodobenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide332389-95-4C18H18IN3O2S2
- N-[[3-Cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-2-iodobenzamide497246-39-6C22H24IN3OS2
- Methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate445239-82-7C19H19ClN2O3S3
- Ethyl 6-methyl-2-({[(2-methylbenzoyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate445239-17-8C21H24N2O3S2
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1](/scaffold/WVWIDWYWASPVGN-UHFFFAOYSA-N/structure.svg)
O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc149 chemicals![Scaffold c1ccc(OCCSc2nc3ccccc3[nH]2)cc1](/scaffold/UEYUFQWEHMSHIX-UHFFFAOYSA-N/structure.svg)
c1ccc(OCCSc2nc3ccccc3[nH]2)cc136 chemicals![Scaffold O=C(NCCc1nc2ccccc2[nH]1)c1ccccc1](/scaffold/YRGGTYXDASSWSH-UHFFFAOYSA-N/structure.svg)
O=C(NCCc1nc2ccccc2[nH]1)c1ccccc124 chemicals
O=C(COc1ccccc1)Nc1nc2ccccc2s122 chemicals
O=C(COc1ccccc1)Nc1cc2c(s1)CCCC220 chemicals
O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc119 chemicals
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc118 chemicals
O=C(CS(=O)(=O)c1ccccc1)Nc1nc2ccccc2s117 chemicals
O=C(CSc1nc2ccccc2s1)Nc1ccccc114 chemicals![Scaffold O=C(NN=Cc1ccccc1)c1cc2ccccc2[nH]1](/scaffold/SYUQFFCOGGAGKC-UHFFFAOYSA-N/structure.svg)
O=C(NN=Cc1ccccc1)c1cc2ccccc2[nH]113 chemicals
O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccccc111 chemicals
O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccc111 chemicals