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

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-6-keto-N-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H16ClFN2O2S MolecularWeight: 426.891043

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H16ClFN2O2S/c1-25-21(27)13-9-10-20-18(11-13)26(12-15-16(23)6-4-7-17(15)24)22(28)14-5-2-3-8-19(14)29-20/h2-11H,12H2,1H3,(H,25,27)