N-(2,3-dimethylcyclohexyl)-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(2,3-dimethylcyclohexyl)-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2,3-dimethylcyclohexyl)-8-methyl-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-8-methyl-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2,3-dimethylcyclohexyl)-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H32N2OS MolecularWeight: 420.61008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NC3CCCC(C3C)C)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NC3CCCC(C3C)C)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C26H32N2OS/c1-5-7-22-20-14-16(2)10-12-24(20)30-25-13-11-19(15-23(25)27-22)26(29)28-21-9-6-8-17(3)18(21)4/h10-15,17-18,21H,5-9H2,1-4H3,(H,28,29)