4-(2,2-dimethylpropanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-(2,2-dimethylpropanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-(2,2-dimethylpropanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-(2,2-dimethylpropanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-(pivaloylthiocarbamoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C20H20F3N3O2S MolecularWeight: 423.45191

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20F3N3O2S/c1-19(2,3)17(28)26-18(29)25-14-9-7-12(8-10-14)16(27)24-15-6-4-5-13(11-15)20(21,22)23/h4-11H,1-3H3,(H,24,27)(H2,25,26,28,29)