N-(3-azanyl-2,2-dimethyl-propyl)-2-(4-fluorophenyl)-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-fluorophenyl)-4-oxidanylidene-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-2-(4-fluorophenyl)-4-oxo-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-2-(4-fluorophenyl)-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-fluorophenyl)-4-oxo-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-2-(4-fluorophenyl)-4-keto-1-(2-thenoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C26H27FN4O3S MolecularWeight: 494.580983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CNC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3=CC=C(C=C3)F)C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)(CN)CNC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3=CC=C(C=C3)F)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H27FN4O3S/c1-26(2,14-28)15-29-24(33)17-7-10-20-19(12-17)30-23(32)13-21(16-5-8-18(27)9-6-16)31(20)25(34)22-4-3-11-35-22/h3-12,21H,13-15,28H2,1-2H3,(H,29,33)(H,30,32)