N-(4-bromanyl-2-fluoranyl-phenyl)-5-[(3-chlorophenyl)methyl]-6,11,11-tris(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-5-[(3-chlorophenyl)methyl]-6,11,11-tris(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-5-[(3-chlorophenyl)methyl]-6,11,11-trioxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-5-[(3-chlorophenyl)methyl]-6,11,11-trioxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-5-[(3-chlorophenyl)methyl]-6,11,11-trioxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-5-(3-chlorobenzyl)-6,11,11-triketo-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H17BrClFN2O4S MolecularWeight: 599.855283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C3=C(S2(=O)=O)C=CC(=C3)C(=O)NC4=C(C=C(C=C4)Br)F)CC5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C3=C(S2(=O)=O)C=CC(=C3)C(=O)NC4=C(C=C(C=C4)Br)F)CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H17BrClFN2O4S/c28-18-9-10-22(21(30)14-18)31-26(33)17-8-11-25-23(13-17)32(15-16-4-3-5-19(29)12-16)27(34)20-6-1-2-7-24(20)37(25,35)36/h1-14H,15H2,(H,31,33)