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

Systemtic Name: N-butyl-5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-butyl-5-[(2-chloro-6-fluoro-phenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-5-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butyl-5-[(2-chloro-6-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-butyl-5-(2-chloro-6-fluoro-benzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H22ClFN2O2S MolecularWeight: 468.970783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClFN2O2S/c1-2-3-13-28-24(30)16-11-12-23-21(14-16)29(15-18-19(26)8-6-9-20(18)27)25(31)17-7-4-5-10-22(17)32-23/h4-12,14H,2-3,13,15H2,1H3,(H,28,30)