ethanedioic acid; 1-[3-(4-methylphenyl)sulfanylpropyl]-4-(phenylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-[3-(4-methylphenyl)sulfanylpropyl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[3-(p-tolylsulfanyl)propyl]piperazine; oxalic acid CAS Name: 1-[3-[(4-methylphenyl)thio]propyl]-4-(phenylmethyl)piperazine; oxalic acid IUPAC Name: 1-benzyl-4-[3-(4-methylphenyl)sulfanylpropyl]piperazine; oxalic acid Traditional Name: 1-benzyl-4-[3-(p-tolylthio)propyl]piperazine; oxalic acid Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCN2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCCN2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2S.C2H2O4/c1-19-8-10-21(11-9-19)24-17-5-12-22-13-15-23(16-14-22)18-20-6-3-2-4-7-20;3-1(4)2(5)6/h2-4,6-11H,5,12-18H2,1H3;(H,3,4)(H,5,6)