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

Systemtic Name: N-(2-methylcyclohexyl)-5-[(2-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(2-methylcyclohexyl)-5-(o-tolylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-methylcyclohexyl)-5-[(2-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(2-methylcyclohexyl)-5-[(2-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-5-(2-methylbenzyl)-N-(2-methylcyclohexyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H30N2O2S MolecularWeight: 470.6257

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5C

Isomeric SMILES

CC1CCCCC1NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5C

InChI

InChI=1S/C29H30N2O2S/c1-19-9-3-5-11-22(19)18-31-25-17-21(28(32)30-24-13-7-4-10-20(24)2)15-16-27(25)34-26-14-8-6-12-23(26)29(31)33/h3,5-6,8-9,11-12,14-17,20,24H,4,7,10,13,18H2,1-2H3,(H,30,32)