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

Systemtic Name: 8-methyl-N-[2-(4-methylphenyl)ethyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-methyl-6-propyl-N-[2-(p-tolyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-methyl-N-[2-(4-methylphenyl)ethyl]-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-methyl-N-[2-(4-methylphenyl)ethyl]-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-methyl-6-propyl-N-[2-(p-tolyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H28N2OS MolecularWeight: 428.58902

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2OS/c1-4-5-23-22-16-19(3)8-12-25(22)31-26-13-11-21(17-24(26)29-23)27(30)28-15-14-20-9-6-18(2)7-10-20/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,28,30)