2-bromanyl-N-[[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[3-[oxo-[3-(trifluoromethyl)anilino]methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiocarbamoyl]benzamide Formula: C22H15BrF3N3O2S MolecularWeight: 522.33761

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)Br

InChI

InChI=1S/C22H15BrF3N3O2S/c23-18-10-2-1-9-17(18)20(31)29-21(32)28-15-7-3-5-13(11-15)19(30)27-16-8-4-6-14(12-16)22(24,25)26/h1-12H,(H,27,30)(H2,28,29,31,32)