ethanedioic acid; 1-[(4-methylsulfanylphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-[(4-methylsulfanylphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(2-naphthylmethyl)piperazine; oxalic acid CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-(2-naphthalenylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine; oxalic acid Traditional Name: 1-[4-(methylthio)benzyl]-4-(2-naphthylmethyl)piperazine; oxalic acid Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H26N2S.C2H2O4/c1-26-23-10-7-19(8-11-23)17-24-12-14-25(15-13-24)18-20-6-9-21-4-2-3-5-22(21)16-20;3-1(4)2(5)6/h2-11,16H,12-15,17-18H2,1H3;(H,3,4)(H,5,6)