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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-8-methyl-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H30N2OS MolecularWeight: 418.5942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CCCCC3)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CCCCC3)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C26H30N2OS/c1-3-7-22-21-16-18(2)10-12-24(21)30-25-13-11-20(17-23(25)28-22)26(29)27-15-14-19-8-5-4-6-9-19/h8,10-13,16-17H,3-7,9,14-15H2,1-2H3,(H,27,29)