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

Systemtic Name: N-[2-(4-methylphenyl)ethyl]-5-[(2-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-(o-tolylmethyl)-6-oxo-N-[2-(p-tolyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(4-methylphenyl)ethyl]-5-[(2-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)ethyl]-5-[(2-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-5-(2-methylbenzyl)-N-[2-(p-tolyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C31H28N2O2S MolecularWeight: 492.63122

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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)N3CC5=CC=CC=C5C

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5C

InChI

InChI=1S/C31H28N2O2S/c1-21-11-13-23(14-12-21)17-18-32-30(34)24-15-16-29-27(19-24)33(20-25-8-4-3-7-22(25)2)31(35)26-9-5-6-10-28(26)36-29/h3-16,19H,17-18,20H2,1-2H3,(H,32,34)