ethyl 3-[[4-(trifluoromethyl)phenyl]methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[[4-(trifluoromethyl)phenyl]methylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[[4-(trifluoromethyl)phenyl]methylcarbamothioylamino]benzoate CAS Name: 3-[[sulfanylidene-[[4-(trifluoromethyl)phenyl]methylamino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(trifluoromethyl)phenyl]methylcarbamothioylamino]benzoate Traditional Name: 3-[[4-(trifluoromethyl)benzyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H17F3N2O2S MolecularWeight: 382.39999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H17F3N2O2S/c1-2-25-16(24)13-4-3-5-15(10-13)23-17(26)22-11-12-6-8-14(9-7-12)18(19,20)21/h3-10H,2,11H2,1H3,(H2,22,23,26)