3-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-methyl-5-[2-(4-methyl-1-piperazinyl)ethyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 3-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]benzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-methyl-5-[2-(4-methylpiperazino)ethyl]benzo[b][1,4]benzothiazepin-6-one Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CCN4CCN(CC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CCN4CCN(CC4)C

InChI

InChI=1S/C21H25N3OS/c1-16-7-8-20-18(15-16)24(14-13-23-11-9-22(2)10-12-23)21(25)17-5-3-4-6-19(17)26-20/h3-8,15H,9-14H2,1-2H3