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

Systemtic Name: ethyl 4-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-[2-nitro-4-(trifluoromethyl)anilino]ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-[2-nitro-4-(trifluoromethyl)anilino]ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-nitro-4-(trifluoromethyl)anilino]ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-[2-nitro-4-(trifluoromethyl)anilino]ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C19H19F3N4O4S MolecularWeight: 456.43877

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H19F3N4O4S/c1-2-30-17(27)12-3-6-14(7-4-12)25-18(31)24-10-9-23-15-8-5-13(19(20,21)22)11-16(15)26(28)29/h3-8,11,23H,2,9-10H2,1H3,(H2,24,25,31)