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

Systemtic Name: 8-chloranyl-N-[2-(cyclohexen-1-yl)ethyl]-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-N-[2-(1-cyclohexenyl)ethyl]-6-ethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H25ClN2OS MolecularWeight: 424.9861

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CCCCC3)SC4=C1C=C(C=C4)Cl

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CCCCC3)SC4=C1C=C(C=C4)Cl

InChI

InChI=1S/C24H25ClN2OS/c1-2-20-19-15-18(25)9-11-22(19)29-23-10-8-17(14-21(23)27-20)24(28)26-13-12-16-6-4-3-5-7-16/h6,8-11,14-15H,2-5,7,12-13H2,1H3,(H,26,28)