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

Systemtic Name: 5-ethyl-N-(2-methylcyclohexyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-ethyl-N-(2-methylcyclohexyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-ethyl-N-(2-methylcyclohexyl)-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-ethyl-N-(2-methylcyclohexyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-ethyl-6-keto-N-(2-methylcyclohexyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)NC3CCCCC3C)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)NC3CCCCC3C)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C23H26N2O2S/c1-3-25-19-14-16(22(26)24-18-10-6-4-8-15(18)2)12-13-21(19)28-20-11-7-5-9-17(20)23(25)27/h5,7,9,11-15,18H,3-4,6,8,10H2,1-2H3,(H,24,26)