N-[4-[[3-bromanyl-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[[3-bromanyl-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[[3-bromo-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[3-bromo-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[[3-bromo-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[3-bromo-5-(trifluoromethyl)phenyl]thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C21H14BrF4N3OS MolecularWeight: 512.317973

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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)Br)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)Br)F

InChI

InChI=1S/C21H14BrF4N3OS/c22-13-9-12(21(24,25)26)10-16(11-13)29-20(31)28-15-7-5-14(6-8-15)27-19(30)17-3-1-2-4-18(17)23/h1-11H,(H,27,30)(H2,28,29,31)