N-(3-methylsulfanylphenyl)-7-oxidanylidene-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-7-oxidanylidene-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-7-oxo-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide CAS Name: N-[3-(methylthio)phenyl]-7-oxo-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-7-oxo-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide Traditional Name: 7-keto-N-[3-(methylthio)phenyl]-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N2C(C3=C(CCCC3=O)NC4=CC=CC=C42)C5=CC=CS5

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2C(C3=C(CCCC3=O)NC4=CC=CC=C42)C5=CC=CS5

InChI

InChI=1S/C25H23N3O2S2/c1-31-17-8-4-7-16(15-17)26-25(30)28-20-11-3-2-9-18(20)27-19-10-5-12-21(29)23(19)24(28)22-13-6-14-32-22/h2-4,6-9,11,13-15,24,27H,5,10,12H2,1H3,(H,26,30)