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

Systemtic Name: 5-[(3-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(3-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(3-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(3-methoxyphenyl)methyl]-N-(2-methylcyclohexyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-5-m-anisyl-N-(2-methylcyclohexyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H30N2O3S MolecularWeight: 486.6251

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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=C5)OC

Isomeric SMILES

CC1CCCCC1NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)OC

InChI

InChI=1S/C29H30N2O3S/c1-19-8-3-5-12-24(19)30-28(32)21-14-15-27-25(17-21)31(18-20-9-7-10-22(16-20)34-2)29(33)23-11-4-6-13-26(23)35-27/h4,6-7,9-11,13-17,19,24H,3,5,8,12,18H2,1-2H3,(H,30,32)