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

Systemtic Name: 6-ethyl-8-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethyl-8-methyl-N-[3-(4-methyl-1-piperidyl)propyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-8-methyl-N-[3-(4-methyl-1-piperidinyl)propyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-ethyl-8-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-8-methyl-N-[3-(4-methylpiperidino)propyl]benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H33N3OS MolecularWeight: 435.62472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCC(CC3)C)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCC(CC3)C)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C26H33N3OS/c1-4-22-21-16-19(3)6-8-24(21)31-25-9-7-20(17-23(25)28-22)26(30)27-12-5-13-29-14-10-18(2)11-15-29/h6-9,16-18H,4-5,10-15H2,1-3H3,(H,27,30)