5-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(2-fluorophenyl)methyl]-N-isopentyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(2-fluorobenzyl)-N-isoamyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H25FN2O2S MolecularWeight: 448.552303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4F

Isomeric SMILES

CC(C)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4F

InChI

InChI=1S/C26H25FN2O2S/c1-17(2)13-14-28-25(30)18-11-12-24-22(15-18)29(16-19-7-3-5-9-21(19)27)26(31)20-8-4-6-10-23(20)32-24/h3-12,15,17H,13-14,16H2,1-2H3,(H,28,30)