N-[[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[3-[oxo-[3-(trifluoromethyl)anilino]methyl]anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C20H14F3N3O2S2 MolecularWeight: 449.46927

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CS2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CS2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H14F3N3O2S2/c21-20(22,23)13-5-2-7-15(11-13)24-17(27)12-4-1-6-14(10-12)25-19(29)26-18(28)16-8-3-9-30-16/h1-11H,(H,24,27)(H2,25,26,28,29)