ethyl 3-[2-[3-(trifluoromethyl)phenyl]ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[2-[3-(trifluoromethyl)phenyl]ethylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[2-[3-(trifluoromethyl)phenyl]ethylcarbamothioylamino]benzoate CAS Name: 3-[[sulfanylidene-[2-[3-(trifluoromethyl)phenyl]ethylamino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-[3-(trifluoromethyl)phenyl]ethylcarbamothioylamino]benzoate Traditional Name: 3-[2-[3-(trifluoromethyl)phenyl]ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C19H19F3N2O2S MolecularWeight: 396.42657

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C19H19F3N2O2S/c1-2-26-17(25)14-6-4-8-16(12-14)24-18(27)23-10-9-13-5-3-7-15(11-13)19(20,21)22/h3-8,11-12H,2,9-10H2,1H3,(H2,23,24,27)