ethyl 1-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[[4-(difluoromethylsulfanyl)phenyl]carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[[4-(difluoromethylthio)anilino]-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(difluoromethylsulfanyl)phenyl]carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[[4-(difluoromethylthio)phenyl]thiocarbamoyl]nipecotic acid ethyl ester Formula: C16H20F2N2O2S2 MolecularWeight: 374.469006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20F2N2O2S2/c1-2-22-14(21)11-4-3-9-20(10-11)16(23)19-12-5-7-13(8-6-12)24-15(17)18/h5-8,11,15H,2-4,9-10H2,1H3,(H,19,23)