9,9-dimethyl-7-oxidanylidene-N-phenyl-6-pyridin-3-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide

Systemtic Name: 9,9-dimethyl-7-oxidanylidene-N-phenyl-6-pyridin-3-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide Openeye Name: 9,9-dimethyl-7-oxo-N-phenyl-6-(3-pyridyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide CAS Name: 9,9-dimethyl-7-oxo-N-phenyl-6-(3-pyridinyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide IUPAC Name: 9,9-dimethyl-7-oxo-N-phenyl-6-pyridin-3-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide Traditional Name: 7-keto-9,9-dimethyl-N-phenyl-6-(3-pyridyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide Formula: C27H26N4OS MolecularWeight: 454.58654

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=S)NC4=CC=CC=C4)C5=CN=CC=C5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=S)NC4=CC=CC=C4)C5=CN=CC=C5)C(=O)C1)C

InChI

InChI=1S/C27H26N4OS/c1-27(2)15-21-24(23(32)16-27)25(18-9-8-14-28-17-18)31(22-13-7-6-12-20(22)30-21)26(33)29-19-10-4-3-5-11-19/h3-14,17,25,30H,15-16H2,1-2H3,(H,29,33)