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

Systemtic Name: 2-fluoranyl-N-[4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide Openeye Name: 2-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide CAS Name: 2-fluoro-N-[4-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide Traditional Name: 2-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]phenyl]benzamide Formula: C21H15F4N3OS MolecularWeight: 433.421913

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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)C(F)(F)F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H15F4N3OS/c22-18-7-2-1-6-17(18)19(29)26-14-8-10-15(11-9-14)27-20(30)28-16-5-3-4-13(12-16)21(23,24)25/h1-12H,(H,26,29)(H2,27,28,30)