4-[(4-chlorophenyl)carbonylcarbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-[(4-chlorophenyl)carbonylcarbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-[(4-chlorobenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[[[[(4-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-[(4-chlorobenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-[(4-chlorobenzoyl)thiocarbamoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C22H15ClF3N3O2S MolecularWeight: 477.88661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClF3N3O2S/c23-16-8-4-13(5-9-16)20(31)29-21(32)28-17-10-6-14(7-11-17)19(30)27-18-3-1-2-15(12-18)22(24,25)26/h1-12H,(H,27,30)(H2,28,29,31,32)