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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-2-(piperonylthio)ethanone Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSCC3=CC4=C(C=C3)OCO4

InChI

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