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

Systemtic Name: N-[2-(4-methylphenyl)ethyl]-6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-allyl-6-oxo-N-[2-(p-tolyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(4-methylphenyl)ethyl]-6-oxo-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)ethyl]-6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-allyl-6-keto-N-[2-(p-tolyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C26H24N2O2S/c1-3-16-28-22-17-20(25(29)27-15-14-19-10-8-18(2)9-11-19)12-13-24(22)31-23-7-5-4-6-21(23)26(28)30/h3-13,17H,1,14-16H2,2H3,(H,27,29)