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

Systemtic Name: 5-ethyl-N-[2-(4-methylphenyl)ethyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-ethyl-6-oxo-N-[2-(p-tolyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-ethyl-N-[2-(4-methylphenyl)ethyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-ethyl-N-[2-(4-methylphenyl)ethyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-ethyl-6-keto-N-[2-(p-tolyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)C)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)C)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C25H24N2O2S/c1-3-27-21-16-19(24(28)26-15-14-18-10-8-17(2)9-11-18)12-13-23(21)30-22-7-5-4-6-20(22)25(27)29/h4-13,16H,3,14-15H2,1-2H3,(H,26,28)