6-ethyl-8-methyl-N-(4-methylcyclohexyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-ethyl-8-methyl-N-(4-methylcyclohexyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethyl-8-methyl-N-(4-methylcyclohexyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-8-methyl-N-(4-methylcyclohexyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-ethyl-8-methyl-N-(4-methylcyclohexyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-8-methyl-N-(4-methylcyclohexyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H28N2OS MolecularWeight: 392.55692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)C)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)C)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C24H28N2OS/c1-4-20-19-13-16(3)7-11-22(19)28-23-12-8-17(14-21(23)26-20)24(27)25-18-9-5-15(2)6-10-18/h7-8,11-15,18H,4-6,9-10H2,1-3H3,(H,25,27)