N-(3-azanyl-2,2-dimethyl-propyl)-2-(4-methylphenyl)-4-oxidanylidene-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-2-(4-methylphenyl)-4-oxidanylidene-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-4-oxo-2-(p-tolyl)-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-2-(4-methylphenyl)-4-oxo-1-[oxo(thiophen-2-yl)methyl]-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-2-(4-methylphenyl)-4-oxo-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-4-keto-2-(p-tolyl)-1-(2-thenoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C27H30N4O3S MolecularWeight: 490.6171

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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)NCC(C)(C)CN

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O3S/c1-17-6-8-18(9-7-17)22-14-24(32)30-20-13-19(25(33)29-16-27(2,3)15-28)10-11-21(20)31(22)26(34)23-5-4-12-35-23/h4-13,22H,14-16,28H2,1-3H3,(H,29,33)(H,30,32)