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

Systemtic Name: methyl 1-[(4-chlorophenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4-chlorophenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(4-chloroanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-chlorophenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-chlorophenyl)thiocarbamoyl]isonipecotic acid methyl ester Formula: C14H17ClN2O2S MolecularWeight: 312.81498

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=S)NC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H17ClN2O2S/c1-19-13(18)10-6-8-17(9-7-10)14(20)16-12-4-2-11(15)3-5-12/h2-5,10H,6-9H2,1H3,(H,16,20)