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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methylphenyl)-4-oxidanylidene-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-oxo-2-(p-tolyl)-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methylphenyl)-4-oxo-1-[oxo(thiophen-2-yl)methyl]-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methylphenyl)-4-oxo-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-keto-2-(p-tolyl)-1-(2-thenoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C30H34N4O3S MolecularWeight: 530.68096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC=CS4)C=CC(=C3)C(=O)NCC5CCCC(C5)CN

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC=CS4)C=CC(=C3)C(=O)NCC5CCCC(C5)CN

InChI

InChI=1S/C30H34N4O3S/c1-19-7-9-22(10-8-19)26-16-28(35)33-24-15-23(29(36)32-18-21-5-2-4-20(14-21)17-31)11-12-25(24)34(26)30(37)27-6-3-13-38-27/h3,6-13,15,20-21,26H,2,4-5,14,16-18,31H2,1H3,(H,32,36)(H,33,35)