2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-[2-[(4-methylphenyl)thio]ethyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide Traditional Name: 2-(4-piperonylpiperazino)-N-[2-(p-tolylthio)ethyl]acetamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N3O3S/c1-18-2-5-20(6-3-18)30-13-8-24-23(27)16-26-11-9-25(10-12-26)15-19-4-7-21-22(14-19)29-17-28-21/h2-7,14H,8-13,15-17H2,1H3,(H,24,27)