N-[4-[(9-chloranyl-2,4,6,8-tetrahydro-1H-[1,4]thiazino[4,3-a][1,4]benzodiazepin-11-yl)carbonyl]phenyl]-2-phenyl-benzamide hydrochloride

Systemtic Name: N-[4-[(9-chloranyl-2,4,6,8-tetrahydro-1H-[1,4]thiazino[4,3-a][1,4]benzodiazepin-11-yl)carbonyl]phenyl]-2-phenyl-benzamide hydrochloride Openeye Name: N-[4-(9-chloro-2,4,6,8-tetrahydro-1H-[1,4]thiazino[4,3-a][1,4]benzodiazepine-11-carbonyl)phenyl]-2-phenyl-benzamide hydrochloride CAS Name: N-[4-[(9-chloro-2,4,6,8-tetrahydro-1H-[1,4]thiazino[4,3-a][1,4]benzodiazepin-11-yl)-oxomethyl]phenyl]-2-phenylbenzamide hydrochloride IUPAC Name: N-[4-(9-chloro-2,4,6,8-tetrahydro-1H-[1,4]thiazino[4,3-a][1,4]benzodiazepine-11-carbonyl)phenyl]-2-phenylbenzamide hydrochloride Traditional Name: N-[4-(9-chloro-2,4,6,8-tetrahydro-1H-[1,4]thiazino[4,3-a][1,4]benzodiazepine-11-carbonyl)phenyl]-2-phenyl-benzamide hydrochloride Formula: C32H27Cl2N3O2S MolecularWeight: 588.54668

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC2=CNC=C3CC(=CC(=C3N21)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6)Cl.Cl

Isomeric SMILES

C1CSCC2=CNC=C3CC(=CC(=C3N21)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6)Cl.Cl

InChI

InChI=1S/C32H26ClN3O2S.ClH/c33-24-16-23-18-34-19-26-20-39-15-14-36(26)30(23)29(17-24)31(37)22-10-12-25(13-11-22)35-32(38)28-9-5-4-8-27(28)21-6-2-1-3-7-21;/h1-13,17-19,34H,14-16,20H2,(H,35,38);1H