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

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-1-(1-benzothiophen-2-ylcarbonyl)-2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-1-(benzothiophene-2-carbonyl)-4-oxo-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-1-[1-benzothiophen-2-yl(oxo)methyl]-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-1-(1-benzothiophene-2-carbonyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-1-(benzothiophene-2-carbonyl)-4-keto-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C31H32N4O3S MolecularWeight: 540.67578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC5=CC=CC=C5S4)C=CC(=C3)C(=O)NCC(C)(C)CN

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC5=CC=CC=C5S4)C=CC(=C3)C(=O)NCC(C)(C)CN

InChI

InChI=1S/C31H32N4O3S/c1-19-8-10-20(11-9-19)25-16-28(36)34-23-14-22(29(37)33-18-31(2,3)17-32)12-13-24(23)35(25)30(38)27-15-21-6-4-5-7-26(21)39-27/h4-15,25H,16-18,32H2,1-3H3,(H,33,37)(H,34,36)