(Z)-but-2-enedioic acid; 2-methylsulfanyl-N-(1-phenethylpiperidin-4-yl)-N-phenyl-ethanamide

Systemtic Name: (Z)-but-2-enedioic acid; 2-methylsulfanyl-N-(1-phenethylpiperidin-4-yl)-N-phenyl-ethanamide Openeye Name: maleic acid; 2-methylsulfanyl-N-(1-phenethyl-4-piperidyl)-N-phenyl-acetamide CAS Name: (Z)-2-butenedioic acid; 2-(methylthio)-N-(1-phenethyl-4-piperidinyl)-N-phenylacetamide IUPAC Name: (Z)-but-2-enedioic acid; 2-methylsulfanyl-N-(1-phenethylpiperidin-4-yl)-N-phenylacetamide Traditional Name: maleic acid; 2-(methylthio)-N-(1-phenethyl-4-piperidyl)-N-phenyl-acetamide Formula: C26H32N2O5S MolecularWeight: 484.60768

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CSCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C22H28N2OS.C4H4O4/c1-26-18-22(25)24(20-10-6-3-7-11-20)21-13-16-23(17-14-21)15-12-19-8-4-2-5-9-19;5-3(6)1-2-4(7)8/h2-11,21H,12-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-