N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(1-benzothiophen-2-ylcarbonyl)-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(1-benzothiophen-2-ylcarbonyl)-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(benzothiophene-2-carbonyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-[1-benzothiophen-2-yl(oxo)methyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(1-benzothiophene-2-carbonyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(benzothiophene-2-carbonyl)-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C33H34N4O3S MolecularWeight: 566.71306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=CC=C4)C(=O)C5=CC6=CC=CC=C6S5)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=CC=C4)C(=O)C5=CC6=CC=CC=C6S5)CN

InChI

InChI=1S/C33H34N4O3S/c34-19-21-7-6-8-22(15-21)20-35-32(39)25-13-14-27-26(16-25)36-31(38)18-28(23-9-2-1-3-10-23)37(27)33(40)30-17-24-11-4-5-12-29(24)41-30/h1-5,9-14,16-17,21-22,28H,6-8,15,18-20,34H2,(H,35,39)(H,36,38)