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

Systemtic Name: 5-[(2-chlorophenyl)methyl]-N-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(2-chlorophenyl)methyl]-N-methyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(2-chlorophenyl)methyl]-N-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(2-chlorophenyl)methyl]-N-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(2-chlorobenzyl)-6-keto-N-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H17ClN2O2S MolecularWeight: 408.90058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN2O2S/c1-24-21(26)14-10-11-20-18(12-14)25(13-15-6-2-4-8-17(15)23)22(27)16-7-3-5-9-19(16)28-20/h2-12H,13H2,1H3,(H,24,26)