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

Systemtic Name: ethyl 4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-chloro-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-chloro-3-(trifluoromethyl)phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H14ClF3N2O2S MolecularWeight: 402.81847

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C17H14ClF3N2O2S/c1-2-25-15(24)10-3-5-11(6-4-10)22-16(26)23-12-7-8-14(18)13(9-12)17(19,20)21/h3-9H,2H2,1H3,(H2,22,23,26)