N-(4-fluorophenyl)-6-(4-methoxyphenyl)-9,9-dimethyl-7-oxidanylidene-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide

Systemtic Name: N-(4-fluorophenyl)-6-(4-methoxyphenyl)-9,9-dimethyl-7-oxidanylidene-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide Openeye Name: N-(4-fluorophenyl)-6-(4-methoxyphenyl)-9,9-dimethyl-7-oxo-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide CAS Name: N-(4-fluorophenyl)-6-(4-methoxyphenyl)-9,9-dimethyl-7-oxo-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide IUPAC Name: N-(4-fluorophenyl)-6-(4-methoxyphenyl)-9,9-dimethyl-7-oxo-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide Traditional Name: N-(4-fluorophenyl)-7-keto-6-(4-methoxyphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide Formula: C29H28FN3O2S MolecularWeight: 501.614923

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(N(C3=CC=CC=C3NC2=C1)C(=S)NC4=CC=C(C=C4)F)C5=CC=C(C=C5)OC)C

Isomeric SMILES

CC1(CC(=O)C2C(N(C3=CC=CC=C3NC2=C1)C(=S)NC4=CC=C(C=C4)F)C5=CC=C(C=C5)OC)C

InChI

InChI=1S/C29H28FN3O2S/c1-29(2)16-23-26(25(34)17-29)27(18-8-14-21(35-3)15-9-18)33(24-7-5-4-6-22(24)32-23)28(36)31-20-12-10-19(30)11-13-20/h4-16,26-27,32H,17H2,1-3H3,(H,31,36)