ethyl 4-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-nitro-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-nitro-2-(trifluoromethyl)phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H14F3N3O4S MolecularWeight: 413.37097

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H14F3N3O4S/c1-2-27-15(24)10-3-5-11(6-4-10)21-16(28)22-14-8-7-12(23(25)26)9-13(14)17(18,19)20/h3-9H,2H2,1H3,(H2,21,22,28)