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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C20H12BrFN2O2S MolecularWeight: 443.288883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC3=C(S2)C=CC(=C3)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NC3=C(S2)C=CC(=C3)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C20H12BrFN2O2S/c21-12-6-7-15(14(22)10-12)23-19(25)11-5-8-18-16(9-11)24-20(26)13-3-1-2-4-17(13)27-18/h1-10H,(H,23,25)(H,24,26)