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

Systemtic Name: 6-ethyl-8-methyl-N-[2-(3-methylphenyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethyl-8-methyl-N-[2-(m-tolyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-8-methyl-N-[2-(3-methylphenyl)ethyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-ethyl-8-methyl-N-[2-(3-methylphenyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-8-methyl-N-[2-(m-tolyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H26N2OS MolecularWeight: 414.56244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC=CC(=C3)C)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC=CC(=C3)C)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C26H26N2OS/c1-4-22-21-15-18(3)8-10-24(21)30-25-11-9-20(16-23(25)28-22)26(29)27-13-12-19-7-5-6-17(2)14-19/h5-11,14-16H,4,12-13H2,1-3H3,(H,27,29)