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

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

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)NCCCN4CCN(CC4)C)N=C2C

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)NCCCN4CCN(CC4)C)N=C2C

InChI

InChI=1S/C24H30N4OS/c1-17-5-7-22-20(15-17)18(2)26-21-16-19(6-8-23(21)30-22)24(29)25-9-4-10-28-13-11-27(3)12-14-28/h5-8,15-16H,4,9-14H2,1-3H3,(H,25,29)