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

Systemtic Name: N-[(4-methylphenyl)methyl]-6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-benzyl-6-oxo-N-(p-tolylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-benzyl-N-[(4-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-benzyl-6-keto-N-(4-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H24N2O2S MolecularWeight: 464.57806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C29H24N2O2S/c1-20-11-13-21(14-12-20)18-30-28(32)23-15-16-27-25(17-23)31(19-22-7-3-2-4-8-22)29(33)24-9-5-6-10-26(24)34-27/h2-17H,18-19H2,1H3,(H,30,32)