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

Systemtic Name: 8-methyl-N-(4-methylcyclohexyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-methyl-N-(4-methylcyclohexyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-methyl-N-(4-methylcyclohexyl)-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-methyl-N-(4-methylcyclohexyl)-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-methyl-N-(4-methylcyclohexyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H30N2OS MolecularWeight: 406.5835

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)C)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)C)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C25H30N2OS/c1-4-5-21-20-14-17(3)8-12-23(20)29-24-13-9-18(15-22(24)27-21)25(28)26-19-10-6-16(2)7-11-19/h8-9,12-16,19H,4-7,10-11H2,1-3H3,(H,26,28)