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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC(=CC=C4)F

Isomeric SMILES

CCCCN(C)C(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC(=CC=C4)F

InChI

InChI=1S/C26H25FN2O2S/c1-3-4-14-28(2)25(30)19-12-13-24-22(16-19)29(17-18-8-7-9-20(27)15-18)26(31)21-10-5-6-11-23(21)32-24/h5-13,15-16H,3-4,14,17H2,1-2H3