N-butyl-6-(3-chloranyl-4-fluoranyl-phenyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-butyl-6-(3-chloranyl-4-fluoranyl-phenyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-butyl-6-(3-chloro-4-fluoro-phenyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-6-(3-chloro-4-fluorophenyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butyl-6-(3-chloro-4-fluorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-butyl-6-(3-chloro-4-fluoro-phenyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H20ClFN2OS MolecularWeight: 438.944803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C24H20ClFN2OS/c1-2-3-12-27-24(29)16-9-11-22-20(14-16)28-23(15-8-10-19(26)18(25)13-15)17-6-4-5-7-21(17)30-22/h4-11,13-14H,2-3,12H2,1H3,(H,27,29)