6-(5-chloranylthiophen-2-yl)-N-(2-methylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-(5-chloranylthiophen-2-yl)-N-(2-methylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-(5-chloro-2-thienyl)-N-isobutyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-(5-chloro-2-thiophenyl)-N-(2-methylpropyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-(5-chloro-2-thienyl)-N-isobutyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H19ClN2OS2 MolecularWeight: 426.98206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)C4=CC=C(S4)Cl

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)C4=CC=C(S4)Cl

InChI

InChI=1S/C22H19ClN2OS2/c1-13(2)12-24-22(26)14-7-8-18-16(11-14)25-21(19-9-10-20(23)28-19)15-5-3-4-6-17(15)27-18/h3-11,13H,12H2,1-2H3,(H,24,26)