(Z)-but-2-enedioic acid; 1-methyl-4-[(2-phenylsulfanylphenyl)methyl]piperazine

Systemtic Name: (Z)-but-2-enedioic acid; 1-methyl-4-[(2-phenylsulfanylphenyl)methyl]piperazine Openeye Name: maleic acid; 1-methyl-4-[(2-phenylsulfanylphenyl)methyl]piperazine CAS Name: (Z)-2-butenedioic acid; 1-methyl-4-[[2-(phenylthio)phenyl]methyl]piperazine IUPAC Name: (Z)-but-2-enedioic acid; 1-methyl-4-[(2-phenylsulfanylphenyl)methyl]piperazine Traditional Name: maleic acid; 1-methyl-4-[2-(phenylthio)benzyl]piperazine Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=CC=C2SC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC2=CC=CC=C2SC3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C18H22N2S.C4H4O4/c1-19-11-13-20(14-12-19)15-16-7-5-6-10-18(16)21-17-8-3-2-4-9-17;5-3(6)1-2-4(7)8/h2-10H,11-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-