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

Systemtic Name: 6,8-dimethyl-N-[2-(4-methylphenyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6,8-dimethyl-N-[2-(p-tolyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6,8-dimethyl-N-[2-(4-methylphenyl)ethyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6,8-dimethyl-N-[2-(4-methylphenyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6,8-dimethyl-N-[2-(p-tolyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H24N2OS MolecularWeight: 400.53586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC4=C(C=C(C=C4)C)C(=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC4=C(C=C(C=C4)C)C(=N3)C

InChI

InChI=1S/C25H24N2OS/c1-16-4-7-19(8-5-16)12-13-26-25(28)20-9-11-24-22(15-20)27-18(3)21-14-17(2)6-10-23(21)29-24/h4-11,14-15H,12-13H2,1-3H3,(H,26,28)