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

Systemtic Name: ethyl 4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[4-chloro-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[[4-chloro-3-(trifluoromethyl)phenyl]thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C16H19ClF3N3O2S MolecularWeight: 409.85417

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C16H19ClF3N3O2S/c1-2-25-15(24)23-7-5-10(6-8-23)21-14(26)22-11-3-4-13(17)12(9-11)16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,26)