ethyl 2-[[(4-pyrrol-1-ylphenyl)carbonylamino]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(4-pyrrol-1-ylphenyl)carbonylamino]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(4-pyrrol-1-ylbenzoyl)amino]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[[[oxo-[4-(1-pyrrolyl)phenyl]methyl]hydrazo]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-pyrrol-1-ylbenzoyl)amino]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-[[(4-pyrrol-1-ylbenzoyl)amino]thiocarbamoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester Formula: C25H28N4O3S2 MolecularWeight: 496.64482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NNC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NNC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C25H28N4O3S2/c1-2-32-24(31)21-19-9-5-3-4-6-10-20(19)34-23(21)26-25(33)28-27-22(30)17-11-13-18(14-12-17)29-15-7-8-16-29/h7-8,11-16H,2-6,9-10H2,1H3,(H,27,30)(H2,26,28,33)