ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazine; oxalic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-[4-(methylthio)benzyl]piperazine; oxalic acid Formula: C24H32N2O6S MolecularWeight: 476.58568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCN(CC2)CC3=CC=C(C=C3)SC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCN(CC2)CC3=CC=C(C=C3)SC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H30N2O2S.C2H2O4/c1-4-26-22-15-19(7-10-21(22)25-2)17-24-13-11-23(12-14-24)16-18-5-8-20(27-3)9-6-18;3-1(4)2(5)6/h5-10,15H,4,11-14,16-17H2,1-3H3;(H,3,4)(H,5,6)