methyl 1-[(4-methoxyphenyl)methylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(4-methoxyphenyl)methylcarbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4-methoxyphenyl)methylcarbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-methoxyphenyl)methylcarbamothioyl]piperidine-4-carboxylate Traditional Name: 1-(p-anisylthiocarbamoyl)isonipecotic acid methyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CCC(CC2)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C16H22N2O3S/c1-20-14-5-3-12(4-6-14)11-17-16(22)18-9-7-13(8-10-18)15(19)21-2/h3-6,13H,7-11H2,1-2H3,(H,17,22)