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

Systemtic Name: N-butyl-6-(2-chlorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-butyl-6-(2-chlorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-6-(2-chlorophenyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butyl-6-(2-chlorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-butyl-6-(2-chlorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H21ClN2OS MolecularWeight: 420.95434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)C4=CC=CC=C4Cl

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H21ClN2OS/c1-2-3-14-26-24(28)16-12-13-22-20(15-16)27-23(17-8-4-6-10-19(17)25)18-9-5-7-11-21(18)29-22/h4-13,15H,2-3,14H2,1H3,(H,26,28)