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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[(3,4-dimethoxyphenyl)thio]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)sulfanylethanone Traditional Name: 2-[(3,4-dimethoxyphenyl)thio]-1-(4-piperonylpiperazino)ethanone Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-26-18-6-4-17(12-20(18)27-2)30-14-22(25)24-9-7-23(8-10-24)13-16-3-5-19-21(11-16)29-15-28-19/h3-6,11-12H,7-10,13-15H2,1-2H3