1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[(1-methyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 2-[(1-methylbenzimidazol-2-yl)thio]-1-(4-piperonylpiperazino)ethanone Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24N4O3S/c1-24-18-5-3-2-4-17(18)23-22(24)30-14-21(27)26-10-8-25(9-11-26)13-16-6-7-19-20(12-16)29-15-28-19/h2-7,12H,8-11,13-15H2,1H3