ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H14F6N2O2S MolecularWeight: 436.371379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F6N2O2S/c1-2-28-15(27)10-3-5-13(6-4-10)25-16(29)26-14-8-11(17(19,20)21)7-12(9-14)18(22,23)24/h3-9H,2H2,1H3,(H2,25,26,29)