(phenylmethyl) (1E)-2-oxidanylidene-N-phenylazanyl-2-[[3-(trifluoromethyl)phenyl]amino]ethanimidothioate

Systemtic Name: (phenylmethyl) (1E)-2-oxidanylidene-N-phenylazanyl-2-[[3-(trifluoromethyl)phenyl]amino]ethanimidothioate Openeye Name: benzyl (1E)-N-anilino-2-oxo-2-[3-(trifluoromethyl)anilino]ethanimidothioate CAS Name: (1E)-N-anilino-2-oxo-2-[3-(trifluoromethyl)anilino]ethanimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl (1E)-N-anilino-2-oxo-2-[3-(trifluoromethyl)anilino]ethanimidothioate Traditional Name: (1E)-N-anilino-2-keto-2-[3-(trifluoromethyl)anilino]thioacetimidic acid benzyl ester Formula: C22H18F3N3OS MolecularWeight: 429.45803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=NNC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CS/C(=N/NC2=CC=CC=C2)/C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H18F3N3OS/c23-22(24,25)17-10-7-13-19(14-17)26-20(29)21(28-27-18-11-5-2-6-12-18)30-15-16-8-3-1-4-9-16/h1-14,27H,15H2,(H,26,29)/b28-21+