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Murcko scaffold

8-Oxo-N-phenyl-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide scaffold

28 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 23
Chemicals: 28
With full pages: 5

Scaffold SMILES

O=c1cccc2n1CC1CC2CN(C(=S)Nc2ccccc2)C1

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 Open the 8-Oxo-N-phenyl-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide page

Murcko scaffold O=c1cccc2n1CC1CC2CN(C(=S)Nc2ccccc2)C1

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 28 of 28 chemicals

(1R,5R)-1,5,6,8-Tetrahydro-8-oxo-N-phenyl-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide chemical structure, C18H19N3OS, CAS 26003-12-3

(1R,5R)-1,5,6,8-Tetrahydro-8-oxo-N-phenyl-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide

CAS 26003-12-3C₁₈H₁₉N₃OS

(1R,5R)-1,5,6,8-Tetrahydro-N-(4-methoxyphenyl)-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide chemical structure, C19H21N3O2S, CAS 26003-14-5

(1R,5R)-1,5,6,8-Tetrahydro-N-(4-methoxyphenyl)-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide

CAS 26003-14-5C₁₉H₂₁N₃O₂S

N-(2,5-Dimethylphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide chemical structure, C20H23N3OS, CAS 399002-50-7

N-(2,5-Dimethylphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide

CAS 399002-50-7C₂₀H₂₃N₃OS

N-(2-Chlorophenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide chemical structure, C18H18ClN3OS, CAS 399001-82-2

N-(2-Chlorophenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide

CAS 399001-82-2C₁₈H₁₈ClN₃OS

$N-(3-Chlorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-diene-11-carbothioamide chemical structure, C18H18ClN3OS, CAS 399001-85-5$

N-(3-Chlorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-diene-11-carbothioamide

CAS 399001-85-5C₁₈H₁₈ClN₃OS

N-(3-Methylphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide chemical structure, C19H21N3OS, CAS 399001-80-0

N-(3-Methylphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide

CAS 399001-80-0C₁₉H₂₁N₃OS

8-Oxo-N-(4-(trifluoromethyl)phenyl)-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide chemical structure, C19H18F3N3OS, CAS 399002-18-7

8-Oxo-N-(4-(trifluoromethyl)phenyl)-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide

CAS 399002-18-7C₁₉H₁₈F₃N₃OS

8-Oxo-N-(3-(trifluoromethyl)phenyl)-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide chemical structure, C19H18F3N3OS, CAS 399002-14-3

8-Oxo-N-(3-(trifluoromethyl)phenyl)-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide

CAS 399002-14-3C₁₉H₁₈F₃N₃OS

N-(2,5-Dimethoxyphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide chemical structure, C20H23N3O3S, CAS 399002-54-1

N-(2,5-Dimethoxyphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide

CAS 399002-54-1C₂₀H₂₃N₃O₃S

N-(4-Fluorophenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide chemical structure, C18H18FN3OS, CAS 399001-91-3

N-(4-Fluorophenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide

CAS 399001-91-3C₁₈H₁₈FN₃OS

N-(2-Ethyl-6-methylphenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide chemical structure, C21H25N3OS, CAS 399002-38-1

N-(2-Ethyl-6-methylphenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide

CAS 399002-38-1C₂₁H₂₅N₃OS

N-(3-Fluorophenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide chemical structure, C18H18FN3OS, CAS 399001-88-8

N-(3-Fluorophenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide

CAS 399001-88-8C₁₈H₁₈FN₃OS

N-(4-Ethoxyphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide chemical structure, C20H23N3O2S, CAS 864923-46-6

N-(4-Ethoxyphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide

CAS 864923-46-6C₂₀H₂₃N₃O₂S

8-Oxo-N-phenyl-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide chemical structure, C18H19N3OS, CAS 654052-83-2

8-Oxo-N-phenyl-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide

CAS 654052-83-2C₁₈H₁₉N₃OS

N-(4-Bromophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide chemical structure, C18H18BrN3OS, CAS 864923-44-4

N-(4-Bromophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide

CAS 864923-44-4C₁₈H₁₈BrN₃OS

N-(4-(Difluoromethoxy)phenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide chemical structure, C19H19F2N3O2S, CAS 398996-39-9

N-(4-(Difluoromethoxy)phenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide

CAS 398996-39-9C₁₉H₁₉F₂N₃O₂S

N-(2,3-Dimethylphenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide chemical structure, C20H23N3OS, CAS 399002-46-1

N-(2,3-Dimethylphenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide

CAS 399002-46-1C₂₀H₂₃N₃OS

$N-(2,6-Diethylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-diene-11-carbothioamide chemical structure, C22H27N3OS, CAS 399002-42-7$

N-(2,6-Diethylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-diene-11-carbothioamide

CAS 399002-42-7C₂₂H₂₇N₃OS

N-(4-Iodophenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide chemical structure, C18H18IN3OS, CAS 399002-00-7

N-(4-Iodophenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide

CAS 399002-00-7C₁₈H₁₈IN₃OS

N-(4-Methoxyphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide chemical structure, C19H21N3O2S, CAS 864923-45-5

N-(4-Methoxyphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide

CAS 864923-45-5C₁₉H₂₁N₃O₂S

$N-(3-Bromophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-diene-11-carbothioamide chemical structure, C18H18BrN3OS, CAS 399001-94-6$

N-(3-Bromophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-diene-11-carbothioamide

CAS 399001-94-6C₁₈H₁₈BrN₃OS

N-(3-Chloro-2-methylphenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide chemical structure, C19H20ClN3OS, CAS 399002-25-6

N-(3-Chloro-2-methylphenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide

CAS 399002-25-6C₁₉H₂₀ClN₃OS

N-(2-Methoxyphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide chemical structure, C19H21N3O2S, CAS 399002-04-1

N-(2-Methoxyphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide

CAS 399002-04-1C₁₉H₂₁N₃O₂S

N-(4-Nitrophenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide chemical structure, C18H18N4O3S, CAS 399002-22-3

N-(4-Nitrophenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide

CAS 399002-22-3C₁₈H₁₈N₄O₃S