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

Systemtic Name: ethyl 1-[(4-methoxyphenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(4-methoxyphenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[(4-methoxyanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-methoxyphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[(4-methoxyphenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H22N2O3S/c1-3-21-15(19)12-5-4-10-18(11-12)16(22)17-13-6-8-14(20-2)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,22)