N-[[(4-methylphenyl)carbonylamino]carbamothioyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide

Systemtic Name: N-[[(4-methylphenyl)carbonylamino]carbamothioyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide Openeye Name: N-[[(4-methylbenzoyl)amino]carbamothioyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide CAS Name: N-[[[(4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-5-[2-(trifluoromethyl)phenyl]-2-furancarboxamide IUPAC Name: N-[[(4-methylbenzoyl)amino]carbamothioyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide Traditional Name: N-[(p-toluoylamino)thiocarbamoyl]-5-[2-(trifluoromethyl)phenyl]-2-furamide Formula: C21H16F3N3O3S MolecularWeight: 447.43025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(O2)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(O2)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H16F3N3O3S/c1-12-6-8-13(9-7-12)18(28)26-27-20(31)25-19(29)17-11-10-16(30-17)14-4-2-3-5-15(14)21(22,23)24/h2-11H,1H3,(H,26,28)(H2,25,27,29,31)