5-(3,4-dimethylphenyl)-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[[2-(trifluoromethyl)phenyl]thiocarbamoyl]-2-furamide Formula: C21H17F3N2O2S MolecularWeight: 418.43209

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC=CC=C3C(F)(F)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC=CC=C3C(F)(F)F)C

InChI

InChI=1S/C21H17F3N2O2S/c1-12-7-8-14(11-13(12)2)17-9-10-18(28-17)19(27)26-20(29)25-16-6-4-3-5-15(16)21(22,23)24/h3-11H,1-2H3,(H2,25,26,27,29)