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

Systemtic Name: ethyl 4-[[[2-nitro-4-(trifluoromethyl)phenyl]amino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-nitro-4-(trifluoromethyl)anilino]carbamothioylamino]benzoate CAS Name: 4-[[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-nitro-4-(trifluoromethyl)anilino]carbamothioylamino]benzoate Traditional Name: 4-[[2-nitro-4-(trifluoromethyl)anilino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H15F3N4O4S MolecularWeight: 428.38561

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H15F3N4O4S/c1-2-28-15(25)10-3-6-12(7-4-10)21-16(29)23-22-13-8-5-11(17(18,19)20)9-14(13)24(26)27/h3-9,22H,2H2,1H3,(H2,21,23,29)