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

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide CAS Name: N-[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]-5-(4-bromophenyl)-2-furancarboxamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide Traditional Name: N-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoyl]-5-(4-bromophenyl)-2-furamide Formula: C20H11BrF6N2O2S MolecularWeight: 537.272959

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Br

InChI

InChI=1S/C20H11BrF6N2O2S/c21-13-3-1-10(2-4-13)15-5-6-16(31-15)17(30)29-18(32)28-14-8-11(19(22,23)24)7-12(9-14)20(25,26)27/h1-9H,(H2,28,29,30,32)