(4-methylsulfanylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [4-(methylthio)benzyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-27-19-9-7-16(8-10-19)15-26-20(24)17-11-13-23(14-12-17)21(25)22-18-5-3-2-4-6-18/h2-10,17H,11-15H2,1H3,(H,22,25)