4-(3-methylbutanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-(3-methylbutanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-(3-methylbutanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-(3-methylbutanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-(isovalerylthiocarbamoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C20H20F3N3O2S MolecularWeight: 423.45191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C20H20F3N3O2S/c1-12(2)10-17(27)26-19(29)25-15-8-6-13(7-9-15)18(28)24-16-5-3-4-14(11-16)20(21,22)23/h3-9,11-12H,10H2,1-2H3,(H,24,28)(H2,25,26,27,29)