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

Systemtic Name: 6,8-dimethyl-N-[(4-methylphenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6,8-dimethyl-N-(p-tolylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6,8-dimethyl-N-[(4-methylphenyl)methyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6,8-dimethyl-N-[(4-methylphenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6,8-dimethyl-N-(4-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H22N2OS MolecularWeight: 386.50928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2OS/c1-15-4-7-18(8-5-15)14-25-24(27)19-9-11-23-21(13-19)26-17(3)20-12-16(2)6-10-22(20)28-23/h4-13H,14H2,1-3H3,(H,25,27)