9,9-dimethyl-7-oxidanylidene-N-phenyl-6-thiophen-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide

Systemtic Name: 9,9-dimethyl-7-oxidanylidene-N-phenyl-6-thiophen-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide Openeye Name: 9,9-dimethyl-7-oxo-N-phenyl-6-(2-thienyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide CAS Name: 9,9-dimethyl-7-oxo-N-phenyl-6-thiophen-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide IUPAC Name: 9,9-dimethyl-7-oxo-N-phenyl-6-thiophen-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide Traditional Name: 7-keto-9,9-dimethyl-N-phenyl-6-(2-thienyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide Formula: C26H25N3OS2 MolecularWeight: 459.6262

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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=CC=CS5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=S)NC4=CC=CC=C4)C5=CC=CS5)C(=O)C1)C

InChI

InChI=1S/C26H25N3OS2/c1-26(2)15-19-23(21(30)16-26)24(22-13-8-14-32-22)29(20-12-7-6-11-18(20)28-19)25(31)27-17-9-4-3-5-10-17/h3-14,24,28H,15-16H2,1-2H3,(H,27,31)