N-[4-[[2-azanyl-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[[2-azanyl-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[[2-amino-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[2-amino-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[[2-amino-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[2-amino-5-(trifluoromethyl)phenyl]thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C21H16F4N4OS MolecularWeight: 448.436553

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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=C(C=CC(=C3)C(F)(F)F)N)F

Isomeric SMILES

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

InChI

InChI=1S/C21H16F4N4OS/c22-16-4-2-1-3-15(16)19(30)27-13-6-8-14(9-7-13)28-20(31)29-18-11-12(21(23,24)25)5-10-17(18)26/h1-11H,26H2,(H,27,30)(H2,28,29,31)