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

Systemtic Name: 8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-methyl-N-[3-(4-methyl-1-piperazinyl)propyl]-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-methyl-N-[3-(4-methylpiperazino)propyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H34N4OS MolecularWeight: 450.63936

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCN(CC3)C)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCN(CC3)C)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C26H34N4OS/c1-4-6-22-21-17-19(2)7-9-24(21)32-25-10-8-20(18-23(25)28-22)26(31)27-11-5-12-30-15-13-29(3)14-16-30/h7-10,17-18H,4-6,11-16H2,1-3H3,(H,27,31)