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

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-4-oxidanylidene-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-4-oxo-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-4-oxo-1-[oxo(thiophen-2-yl)methyl]-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-4-oxo-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-2-cyclohexyl-4-keto-1-(2-thenoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C29H32N4O3S MolecularWeight: 516.65438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC=CS4)C=CC(=C3)C(=O)NCC5=CC=CC(=C5)CN

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC=CS4)C=CC(=C3)C(=O)NCC5=CC=CC(=C5)CN

InChI

InChI=1S/C29H32N4O3S/c30-17-19-6-4-7-20(14-19)18-31-28(35)22-11-12-24-23(15-22)32-27(34)16-25(21-8-2-1-3-9-21)33(24)29(36)26-10-5-13-37-26/h4-7,10-15,21,25H,1-3,8-9,16-18,30H2,(H,31,35)(H,32,34)