methyl 1-[(phenylmethyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(phenylmethyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-(benzylcarbamothioyl)piperidine-4-carboxylate CAS Name: 1-[[(phenylmethyl)amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(benzylcarbamothioyl)piperidine-4-carboxylate Traditional Name: 1-(benzylthiocarbamoyl)isonipecotic acid methyl ester Formula: C15H20N2O2S MolecularWeight: 292.3965

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=S)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C15H20N2O2S/c1-19-14(18)13-7-9-17(10-8-13)15(20)16-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,20)