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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

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