ethanedioic acid; 1-[(4-ethylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-[(4-ethylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine Openeye Name: 1-[(4-ethylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(4-ethylphenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazine; oxalic acid IUPAC Name: 1-[(4-ethylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(4-ethylbenzyl)-4-[4-(methylthio)benzyl]piperazine; oxalic acid Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=C(C=C3)SC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=C(C=C3)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2S.C2H2O4/c1-3-18-4-6-19(7-5-18)16-22-12-14-23(15-13-22)17-20-8-10-21(24-2)11-9-20;3-1(4)2(5)6/h4-11H,3,12-17H2,1-2H3;(H,3,4)(H,5,6)