ethyl 4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: ethyl 4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]butanoate Openeye Name: ethyl 4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-chloro-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[4-chloro-3-(trifluoromethyl)phenyl]thiocarbamoylamino]butyric acid ethyl ester Formula: C14H16ClF3N2O2S MolecularWeight: 368.80225

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NC1=CC(=C(C=C1)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)CCCNC(=S)NC1=CC(=C(C=C1)Cl)C(F)(F)F

InChI

InChI=1S/C14H16ClF3N2O2S/c1-2-22-12(21)4-3-7-19-13(23)20-9-5-6-11(15)10(8-9)14(16,17)18/h5-6,8H,2-4,7H2,1H3,(H2,19,20,23)