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

Systemtic Name: N-[3-oxidanyl-4-(2,4,6,8-tetrahydro-1H-[1,4]thiazino[4,3-a][1,4]benzodiazepin-11-ylcarbonyl)phenyl]-2-phenyl-benzamide Openeye Name: N-[3-hydroxy-4-(2,4,6,8-tetrahydro-1H-[1,4]thiazino[4,3-a][1,4]benzodiazepine-11-carbonyl)phenyl]-2-phenyl-benzamide CAS Name: N-[3-hydroxy-4-[oxo(2,4,6,8-tetrahydro-1H-[1,4]thiazino[4,3-a][1,4]benzodiazepin-11-yl)methyl]phenyl]-2-phenylbenzamide IUPAC Name: N-[3-hydroxy-4-(2,4,6,8-tetrahydro-1H-[1,4]thiazino[4,3-a][1,4]benzodiazepine-11-carbonyl)phenyl]-2-phenylbenzamide Traditional Name: N-[3-hydroxy-4-(2,4,6,8-tetrahydro-1H-[1,4]thiazino[4,3-a][1,4]benzodiazepine-11-carbonyl)phenyl]-2-phenyl-benzamide Formula: C32H27N3O3S MolecularWeight: 533.64008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H27N3O3S/c36-29-17-23(34-32(38)26-11-5-4-10-25(26)21-7-2-1-3-8-21)13-14-27(29)31(37)28-12-6-9-22-18-33-19-24-20-39-16-15-35(24)30(22)28/h1-8,10-14,17-19,33,36H,9,15-16,20H2,(H,34,38)