ethyl 1-[(3-methoxyphenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-methoxyphenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-methoxyphenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(3-methoxyanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-methoxyphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3-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(=CC=C2)OC

Isomeric SMILES

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

InChI

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