6-(4-chlorophenyl)-N-ethoxy-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-(4-chlorophenyl)-N-ethoxy-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-(4-chlorophenyl)-N-ethoxy-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-(4-chlorophenyl)-N-ethoxy-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-(4-chlorophenyl)-N-ethoxybenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-(4-chlorophenyl)-N-ethoxy-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H17ClN2O2S MolecularWeight: 408.90058

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Descriptors Computed from Structure

Canonical SMILES:

CCONC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCONC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H17ClN2O2S/c1-2-27-25-22(26)15-9-12-20-18(13-15)24-21(14-7-10-16(23)11-8-14)17-5-3-4-6-19(17)28-20/h3-13H,2H2,1H3,(H,25,26)