N-butyl-6-(4-chlorophenyl)-9-fluoranyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-butyl-6-(4-chlorophenyl)-9-fluoranyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-butyl-6-(4-chlorophenyl)-9-fluoro-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-6-(4-chlorophenyl)-9-fluoro-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butyl-6-(4-chlorophenyl)-9-fluorobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-butyl-6-(4-chlorophenyl)-9-fluoro-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=C(C=CC(=C3)F)C(=N2)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=CC(=C3)F)C(=N2)C4=CC=C(C=C4)Cl

InChI

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