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

Systemtic Name: 2-fluoranyl-N-[4-[[3-(trifluoromethyloxy)phenyl]carbamothioylamino]phenyl]benzamide Openeye Name: 2-fluoro-N-[4-[[3-(trifluoromethoxy)phenyl]carbamothioylamino]phenyl]benzamide CAS Name: 2-fluoro-N-[4-[[sulfanylidene-[3-(trifluoromethoxy)anilino]methyl]amino]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-[[3-(trifluoromethoxy)phenyl]carbamothioylamino]phenyl]benzamide Traditional Name: 2-fluoro-N-[4-[[3-(trifluoromethoxy)phenyl]thiocarbamoylamino]phenyl]benzamide Formula: C21H15F4N3O2S MolecularWeight: 449.421313

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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(=CC=C3)OC(F)(F)F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H15F4N3O2S/c22-18-7-2-1-6-17(18)19(29)26-13-8-10-14(11-9-13)27-20(31)28-15-4-3-5-16(12-15)30-21(23,24)25/h1-12H,(H,26,29)(H2,27,28,31)