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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1-propylimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1-propylimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[(1-propyl-2-imidazolyl)thio]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1-propylimidazol-2-yl)sulfanylethanone Traditional Name: 1-(4-piperonylpiperazino)-2-[(1-propylimidazol-2-yl)thio]ethanone Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN=C1SCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN1C=CN=C1SCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H26N4O3S/c1-2-6-24-7-5-21-20(24)28-14-19(25)23-10-8-22(9-11-23)13-16-3-4-17-18(12-16)27-15-26-17/h3-5,7,12H,2,6,8-11,13-15H2,1H3