methyl 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamothioyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[2-chloro-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]thiocarbamoyl]isonipecotic acid methyl ester Formula: C15H16ClF3N2O2S MolecularWeight: 380.81295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClF3N2O2S/c1-23-13(22)9-4-6-21(7-5-9)14(24)20-12-8-10(15(17,18)19)2-3-11(12)16/h2-3,8-9H,4-7H2,1H3,(H,20,24)