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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC5=CC=CC=C5S4)C=CC(=C3)C(=O)NCC6=CC=CC(=C6)CN

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC5=CC=CC=C5S4)C=CC(=C3)C(=O)NCC6=CC=CC(=C6)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/h4-8,11-17,23,28H,1-3,9-10,18-20,34H2,(H,35,39)(H,36,38)