2-(4-nitrophenoxy)-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(4-nitrophenoxy)-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(4-nitrophenoxy)-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(4-nitrophenoxy)-N-[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]acetamide IUPAC Name: 2-(4-nitrophenoxy)-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(4-nitrophenoxy)-N-[[2-(trifluoromethyl)phenyl]thiocarbamoyl]acetamide Formula: C16H12F3N3O4S MolecularWeight: 399.34439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H12F3N3O4S/c17-16(18,19)12-3-1-2-4-13(12)20-15(27)21-14(23)9-26-11-7-5-10(6-8-11)22(24)25/h1-8H,9H2,(H2,20,21,23,27)