8-chloranyl-N-[2-(4-methylphenyl)ethyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-chloranyl-N-[2-(4-methylphenyl)ethyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-6-propyl-N-[2-(p-tolyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-N-[2-(4-methylphenyl)ethyl]-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-chloro-N-[2-(4-methylphenyl)ethyl]-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-6-propyl-N-[2-(p-tolyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H25ClN2OS MolecularWeight: 449.0075

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)C)SC4=C1C=C(C=C4)Cl

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)C)SC4=C1C=C(C=C4)Cl

InChI

InChI=1S/C26H25ClN2OS/c1-3-4-22-21-16-20(27)10-12-24(21)31-25-11-9-19(15-23(25)29-22)26(30)28-14-13-18-7-5-17(2)6-8-18/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,28,30)