N-[4-[[8,9-bis(fluoranyl)-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-[[8,9-bis(fluoranyl)-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-(8,9-difluoro-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-[(8,9-difluoro-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-(8,9-difluoro-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-(8,9-difluoro-2,4,6,8-tetrahydro-1H-[1,4]thiazino[4,3-a][1,4]benzodiazepine-11-carbonyl)phenyl]-2-phenyl-benzamide hydrochloride Formula: C32H26ClF2N3O2S MolecularWeight: 590.082546

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC2=CNC=C3C(C(=CC(=C3N21)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6)F)F.Cl

Isomeric SMILES

C1CSCC2=CNC=C3C(C(=CC(=C3N21)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6)F)F.Cl

InChI

InChI=1S/C32H25F2N3O2S.ClH/c33-28-16-26(30-27(29(28)34)18-35-17-23-19-40-15-14-37(23)30)31(38)21-10-12-22(13-11-21)36-32(39)25-9-5-4-8-24(25)20-6-2-1-3-7-20;/h1-13,16-18,29,35H,14-15,19H2,(H,36,39);1H