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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanyl-ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[(4-methoxyphenyl)thio]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone Traditional Name: 2-[(4-methoxyphenyl)thio]-1-(4-piperonylpiperazino)ethanone Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O4S/c1-25-17-3-5-18(6-4-17)28-14-21(24)23-10-8-22(9-11-23)13-16-2-7-19-20(12-16)27-15-26-19/h2-7,12H,8-11,13-15H2,1H3