N-[4-[[3-bromanyl-4-(trifluoromethyloxy)phenyl]carbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[[3-bromanyl-4-(trifluoromethyloxy)phenyl]carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[[3-bromo-4-(trifluoromethoxy)phenyl]carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[3-bromo-4-(trifluoromethoxy)anilino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[[3-bromo-4-(trifluoromethoxy)phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[3-bromo-4-(trifluoromethoxy)phenyl]thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C21H14BrF4N3O2S MolecularWeight: 528.317373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrF4N3O2S/c22-16-11-14(9-10-18(16)31-21(24,25)26)29-20(32)28-13-7-5-12(6-8-13)27-19(30)15-3-1-2-4-17(15)23/h1-11H,(H,27,30)(H2,28,29,32)