ethanedioic acid; 1-ethyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine

Systemtic Name: ethanedioic acid; 1-ethyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine Openeye Name: 1-ethyl-4-[2-(p-tolylsulfanyl)ethyl]piperazine; oxalic acid CAS Name: 1-ethyl-4-[2-[(4-methylphenyl)thio]ethyl]piperazine; oxalic acid IUPAC Name: 1-ethyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine; oxalic acid Traditional Name: 1-ethyl-4-[2-(p-tolylthio)ethyl]piperazine; oxalic acid Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCSC2=CC=C(C=C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCSC2=CC=C(C=C2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H24N2S.C2H2O4/c1-3-16-8-10-17(11-9-16)12-13-18-15-6-4-14(2)5-7-15;3-1(4)2(5)6/h4-7H,3,8-13H2,1-2H3;(H,3,4)(H,5,6)