ethanedioic acid; [1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

Systemtic Name: ethanedioic acid; [1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate Openeye Name: [1-[(4-methylsulfanylphenyl)methyl]-4-piperidyl] N-(2-phenylphenyl)carbamate; oxalic acid CAS Name: oxalic acid; N-(2-phenylphenyl)carbamic acid [1-[[4-(methylthio)phenyl]methyl]-4-piperidinyl] ester IUPAC Name: [1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate; oxalic acid Traditional Name: oxalic acid; N-(2-phenylphenyl)carbamic acid [1-[4-(methylthio)benzyl]-4-piperidyl] ester Formula: C28H30N2O6S MolecularWeight: 522.6126

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCC(CC2)OC(=O)NC3=CC=CC=C3C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCC(CC2)OC(=O)NC3=CC=CC=C3C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H28N2O2S.C2H2O4/c1-31-23-13-11-20(12-14-23)19-28-17-15-22(16-18-28)30-26(29)27-25-10-6-5-9-24(25)21-7-3-2-4-8-21;3-1(4)2(5)6/h2-14,22H,15-19H2,1H3,(H,27,29);(H,3,4)(H,5,6)