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

Systemtic Name: N-[2-[[3-bromanyl-4-(trifluoromethyloxy)phenyl]carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[2-[[3-bromo-4-(trifluoromethoxy)phenyl]carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[2-[[[3-bromo-4-(trifluoromethoxy)anilino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[2-[[3-bromo-4-(trifluoromethoxy)phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[2-[[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=CC=C2NC(=S)NC3=CC(=C(C=C3)OC(F)(F)F)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2NC(=S)NC3=CC(=C(C=C3)OC(F)(F)F)Br)F

InChI

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