3,5-dinitro-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]benzamide IUPAC Name: 3,5-dinitro-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[[3-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C15H9F3N4O5S MolecularWeight: 414.31597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9F3N4O5S/c16-15(17,18)9-2-1-3-10(6-9)19-14(28)20-13(23)8-4-11(21(24)25)7-12(5-8)22(26)27/h1-7H,(H2,19,20,23,28)