5-bromanyl-N-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[4-[oxo-[3-(trifluoromethyl)anilino]methyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiocarbamoyl]-2-furamide Formula: C20H13BrF3N3O3S MolecularWeight: 512.29973

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)Br)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)Br)C(F)(F)F

InChI

InChI=1S/C20H13BrF3N3O3S/c21-16-9-8-15(30-16)18(29)27-19(31)26-13-6-4-11(5-7-13)17(28)25-14-3-1-2-12(10-14)20(22,23)24/h1-10H,(H,25,28)(H2,26,27,29,31)