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

Systemtic Name: N-butyl-5-[(2-chlorophenyl)methyl]-N-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-butyl-5-[(2-chlorophenyl)methyl]-N-methyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-5-[(2-chlorophenyl)methyl]-N-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butyl-5-[(2-chlorophenyl)methyl]-N-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-butyl-5-(2-chlorobenzyl)-6-keto-N-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H25ClN2O2S MolecularWeight: 465.0069

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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=C4Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClN2O2S/c1-3-4-15-28(2)25(30)18-13-14-24-22(16-18)29(17-19-9-5-7-11-21(19)27)26(31)20-10-6-8-12-23(20)32-24/h5-14,16H,3-4,15,17H2,1-2H3