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

Systemtic Name: ethyl 4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[4-chloro-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[4-chloro-3-(trifluoromethyl)phenyl]thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C15H17ClF3N3O2S MolecularWeight: 395.82759

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C15H17ClF3N3O2S/c1-2-24-14(23)22-7-5-21(6-8-22)13(25)20-10-3-4-12(16)11(9-10)15(17,18)19/h3-4,9H,2,5-8H2,1H3,(H,20,25)