ethyl 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[[4-chloro-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]thiocarbamoyl]nipecotic acid ethyl ester Formula: C16H18ClF3N2O2S MolecularWeight: 394.83953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClF3N2O2S/c1-2-24-14(23)10-4-3-7-22(9-10)15(25)21-11-5-6-13(17)12(8-11)16(18,19)20/h5-6,8,10H,2-4,7,9H2,1H3,(H,21,25)