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

Systemtic Name: 6-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-N-[3-(4-methyl-1-piperazinyl)propyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-N-[3-(4-methylpiperazino)propyl]benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCN(CC3)C)SC4=CC=CC=C41

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCN(CC3)C)SC4=CC=CC=C41

InChI

InChI=1S/C24H30N4OS/c1-3-20-19-7-4-5-8-22(19)30-23-10-9-18(17-21(23)26-20)24(29)25-11-6-12-28-15-13-27(2)14-16-28/h4-5,7-10,17H,3,6,11-16H2,1-2H3,(H,25,29)