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Murcko scaffold

Ring system with 3 rings and 16 atoms

17 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 16
Chemicals: 17
With full pages: 3

Scaffold SMILES

O=C1NC(=S)SC1=C1Nc2ccccc2S1

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.

Substructure search with this scaffold

Murcko scaffold O=C1NC(=S)SC1=C1Nc2ccccc2S1

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 17 of 17 chemicals

5-(3-Ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-3-thiazolidineethanesulfonic acid chemical structure, C14H14N2O4S4, CAS 21584-13-4

5-(3-Ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-3-thiazolidineethanesulfonic acid

CAS 21584-13-4C₁₄H₁₄N₂O₄S₄

3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-, compd. with N,N-diethylethanamine (1:1) chemical structure, C20H27N3O3S3, CAS 68239-70-3

3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-, compd. with N,N-diethylethanamine (1:1)

CAS 68239-70-3C₂₀H₂₇N₃O₃S₃

(5Z)-3-Butyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C15H16N2OS3, CAS 300801-56-3

(5Z)-3-Butyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

CAS 300801-56-3C₁₅H₁₆N₂OS₃

(5Z)-3-Butyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C16H18N2O2S3, CAS 300801-57-4

(5Z)-3-Butyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

CAS 300801-57-4C₁₆H₁₈N₂O₂S₃

(5Z)-5-(5-Chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C15H13ClN2OS3, CAS 295344-81-9

(5Z)-5-(5-Chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

CAS 295344-81-9C₁₅H₁₃ClN₂OS₃

(E)-3-Ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-thioxothiazolidin-4-one chemical structure, C13H12N2OS3, CAS 41504-13-6

(E)-3-Ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-thioxothiazolidin-4-one

CAS 41504-13-6C₁₃H₁₂N₂OS₃

(5Z)-3-Amino-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C11H8ClN3OS3, CAS 332413-67-9

(5Z)-3-Amino-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

CAS 332413-67-9C₁₁H₈ClN₃OS₃

3-Amino-5-(5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one chemical structure, C12H10ClN3OS3, CAS 332413-76-0

3-Amino-5-(5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxo-1,3-thiazolidin-4-one

CAS 332413-76-0C₁₂H₁₀ClN₃OS₃

5-(3-Butyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one chemical structure, C15H16N2OS3, CAS 309281-90-1

5-(3-Butyl-1,3-benzothiazol-2(3H)-ylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one

CAS 309281-90-1C₁₅H₁₆N₂OS₃

3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo- chemical structure, C14H12N2O3S3, CAS 7570-41-4

3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-

CAS 7570-41-4C₁₄H₁₂N₂O₃S₃

5-(3-Methylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid chemical structure, C13H10N2O3S3, CAS 41504-19-2

5-(3-Methylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid

CAS 41504-19-2C₁₃H₁₀N₂O₃S₃

N,N-Diethylethanamine, 3-[(2Z)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid chemical structure, C21H31N3O4S4, CAS 27930-82-1

N,N-Diethylethanamine, 3-[(2Z)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid

CAS 27930-82-1C₂₁H₃₁N₃O₄S₄

3-Thiazolidineethanesulfonic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-, potassium salt (1:1) chemical structure, C14H13KN2O4S4, CAS 63123-22-8

3-Thiazolidineethanesulfonic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-, potassium salt (1:1)

CAS 63123-22-8C₁₄H₁₃KN₂O₄S₄

Tris(2-hydroxyethyl)ammonium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidine-3-acetate chemical structure, C20H27N3O6S3, CAS 75069-22-6

Tris(2-hydroxyethyl)ammonium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidine-3-acetate

CAS 75069-22-6C₂₀H₂₇N₃O₆S₃

2-(3-Ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)-2H-benzothiazole-3-butanesulphonic acid, compound with triethylamine (1:1) chemical structure, C22H33N3O4S4, CAS 93838-96-1

2-(3-Ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)-2H-benzothiazole-3-butanesulphonic acid, compound with triethylamine (1:1)

CAS 93838-96-1C₂₂H₃₃N₃O₄S₄

3-Thiazolidineacetic acid, 5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-, compd. with N,N-diethylethanamine (1:1) chemical structure, C19H25N3O3S3, CAS 116912-49-3

3-Thiazolidineacetic acid, 5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-, compd. with N,N-diethylethanamine (1:1)

CAS 116912-49-3C₁₉H₂₅N₃O₃S₃

Bis(N,N-diethylethanamine), 2-[(5Z)-4-oxo-2-sulfanylidene-5-[3-(3-sulfobutyl)-1,3-benzothiazol-2-ylidene]-1,3-thiazolidin-3-yl]acetic acid chemical structure, C28H46N4O6S4, CAS 99749-49-2

Bis(N,N-diethylethanamine), 2-[(5Z)-4-oxo-2-sulfanylidene-5-[3-(3-sulfobutyl)-1,3-benzothiazol-2-ylidene]-1,3-thiazolidin-3-yl]acetic acid

CAS 99749-49-2C₂₈H₄₆N₄O₆S₄