8-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-methyl-N-[3-(2-methyl-1-piperidyl)propyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-methyl-N-[3-(2-methyl-1-piperidinyl)propyl]-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-methyl-N-[3-(2-methylpiperidino)propyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H35N3OS MolecularWeight: 449.6513

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCCCC3C)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCCCC3C)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C27H35N3OS/c1-4-8-23-22-17-19(2)10-12-25(22)32-26-13-11-21(18-24(26)29-23)27(31)28-14-7-16-30-15-6-5-9-20(30)3/h10-13,17-18,20H,4-9,14-16H2,1-3H3,(H,28,31)