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

Systemtic Name: 8-chloranyl-N-[2-(cyclohexen-1-yl)ethyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-N-[2-(1-cyclohexenyl)ethyl]-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H27ClN2OS MolecularWeight: 439.01268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN2OS/c1-2-6-21-20-16-19(26)10-12-23(20)30-24-11-9-18(15-22(24)28-21)25(29)27-14-13-17-7-4-3-5-8-17/h7,9-12,15-16H,2-6,8,13-14H2,1H3,(H,27,29)