N-[[4-nitro-3-(trifluoromethyl)phenyl]carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[[4-nitro-3-(trifluoromethyl)phenyl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[4-nitro-3-(trifluoromethyl)phenyl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[4-nitro-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[4-nitro-3-(trifluoromethyl)phenyl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[4-nitro-3-(trifluoromethyl)phenyl]thiocarbamoyl]-2-phenyl-acetamide Formula: C16H12F3N3O3S MolecularWeight: 383.34499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F3N3O3S/c17-16(18,19)12-9-11(6-7-13(12)22(24)25)20-15(26)21-14(23)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,20,21,23,26)