N-[3-chloranyl-4-(2,4,6,8-tetrahydro-1H-[1,4]thiazino[4,3-a][1,4]benzodiazepin-11-ylcarbonyl)phenyl]-4-fluoranyl-2-phenyl-benzamide

Systemtic Name: N-[3-chloranyl-4-(2,4,6,8-tetrahydro-1H-[1,4]thiazino[4,3-a][1,4]benzodiazepin-11-ylcarbonyl)phenyl]-4-fluoranyl-2-phenyl-benzamide Openeye Name: N-[3-chloro-4-(2,4,6,8-tetrahydro-1H-[1,4]thiazino[4,3-a][1,4]benzodiazepine-11-carbonyl)phenyl]-4-fluoro-2-phenyl-benzamide CAS Name: N-[3-chloro-4-[oxo(2,4,6,8-tetrahydro-1H-[1,4]thiazino[4,3-a][1,4]benzodiazepin-11-yl)methyl]phenyl]-4-fluoro-2-phenylbenzamide IUPAC Name: N-[3-chloro-4-(2,4,6,8-tetrahydro-1H-[1,4]thiazino[4,3-a][1,4]benzodiazepine-11-carbonyl)phenyl]-4-fluoro-2-phenylbenzamide Traditional Name: N-[3-chloro-4-(2,4,6,8-tetrahydro-1H-[1,4]thiazino[4,3-a][1,4]benzodiazepine-11-carbonyl)phenyl]-4-fluoro-2-phenyl-benzamide Formula: C32H25ClFN3O2S MolecularWeight: 570.076203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H25ClFN3O2S/c33-29-16-23(36-32(39)25-11-9-22(34)15-28(25)20-5-2-1-3-6-20)10-12-26(29)31(38)27-8-4-7-21-17-35-18-24-19-40-14-13-37(24)30(21)27/h1-6,8-12,15-18,35H,7,13-14,19H2,(H,36,39)