ethanedioic acid; N-[(4-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: ethanedioic acid; N-[(4-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-N-(p-tolylmethyl)piperidine-4-carboxamide; oxalic acid CAS Name: N-[(4-methylphenyl)methyl]-1-[[4-(methylthio)phenyl]methyl]-4-piperidinecarboxamide; oxalic acid IUPAC Name: N-[(4-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide; oxalic acid Traditional Name: N-(4-methylbenzyl)-1-[4-(methylthio)benzyl]isonipecotamide; oxalic acid Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)CC3=CC=C(C=C3)SC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)CC3=CC=C(C=C3)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28N2OS.C2H2O4/c1-17-3-5-18(6-4-17)15-23-22(25)20-11-13-24(14-12-20)16-19-7-9-21(26-2)10-8-19;3-1(4)2(5)6/h3-10,20H,11-16H2,1-2H3,(H,23,25);(H,3,4)(H,5,6)