butyl 4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: butyl 4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzoate Openeye Name: butyl 4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzoate CAS Name: 4-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C19H19F3N2O2S MolecularWeight: 396.42657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N2O2S/c1-2-3-11-26-17(25)13-7-9-15(10-8-13)23-18(27)24-16-6-4-5-14(12-16)19(20,21)22/h4-10,12H,2-3,11H2,1H3,(H2,23,24,27)