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

Systemtic Name: 2-fluoranyl-N-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide Openeye Name: 2-fluoro-N-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide CAS Name: 2-fluoro-N-[4-[[[4-methyl-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide Traditional Name: 2-fluoro-N-[4-[[4-methyl-3-(trifluoromethyl)phenyl]thiocarbamoylamino]phenyl]benzamide Formula: C22H17F4N3OS MolecularWeight: 447.448493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)C(F)(F)F

InChI

InChI=1S/C22H17F4N3OS/c1-13-6-7-16(12-18(13)22(24,25)26)29-21(31)28-15-10-8-14(9-11-15)27-20(30)17-4-2-3-5-19(17)23/h2-12H,1H3,(H,27,30)(H2,28,29,31)