8-chloranyl-6-methylidene-N-[3-(4-methylpiperidin-1-yl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-chloranyl-6-methylidene-N-[3-(4-methylpiperidin-1-yl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-6-methylene-N-[3-(4-methyl-1-piperidyl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-6-methylene-N-[3-(4-methyl-1-piperidinyl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 8-chloro-6-methylidene-N-[3-(4-methylpiperidin-1-yl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-6-methylene-N-[3-(4-methylpiperidino)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H28ClN3OS MolecularWeight: 442.01662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)SC4=C(C=C(C=C4)Cl)C(=C)N3

Isomeric SMILES

CC1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)SC4=C(C=C(C=C4)Cl)C(=C)N3

InChI

InChI=1S/C24H28ClN3OS/c1-16-8-12-28(13-9-16)11-3-10-26-24(29)18-4-6-23-21(14-18)27-17(2)20-15-19(25)5-7-22(20)30-23/h4-7,14-16,27H,2-3,8-13H2,1H3,(H,26,29)