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

Systemtic Name: 8-chloranyl-N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-N-[2-(1-cyclohexenyl)ethyl]-6-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H23ClN2OS MolecularWeight: 410.95952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CCCCC3)SC4=C1C=C(C=C4)Cl

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CCCCC3)SC4=C1C=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN2OS/c1-15-19-14-18(24)8-10-21(19)28-22-9-7-17(13-20(22)26-15)23(27)25-12-11-16-5-3-2-4-6-16/h5,7-10,13-14H,2-4,6,11-12H2,1H3,(H,25,27)