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

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-oxidanylidene-N-propan-2-yl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-N-isopropyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-propan-2-yl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-propan-2-ylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-N-isopropyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H20ClFN2O2S MolecularWeight: 454.944203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClFN2O2S/c1-14(2)27-23(29)15-10-11-22-20(12-15)28(13-17-18(25)7-5-8-19(17)26)24(30)16-6-3-4-9-21(16)31-22/h3-12,14H,13H2,1-2H3,(H,27,29)