ethyl 1-[(4-methoxyphenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-methoxyphenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-methoxyphenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(4-methoxyanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-methoxyphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-methoxyphenyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H22N2O3S/c1-3-21-15(19)12-8-10-18(11-9-12)16(22)17-13-4-6-14(20-2)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,17,22)