1-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone

Systemtic Name: 1-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone Openeye Name: 1-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone CAS Name: 1-[5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone IUPAC Name: 1-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone Traditional Name: 1-[5-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C

InChI

InChI=1S/C21H24N2OS/c1-15(24)16-7-8-21-18(13-16)19(23-11-9-22(2)10-12-23)14-17-5-3-4-6-20(17)25-21/h3-8,13,19H,9-12,14H2,1-2H3