N-(2-methylphenyl)-3-oxidanylidene-2-[[[3-(trifluoromethyl)phenyl]carbamothioylamino]methylidene]butanamide

Systemtic Name: N-(2-methylphenyl)-3-oxidanylidene-2-[[[3-(trifluoromethyl)phenyl]carbamothioylamino]methylidene]butanamide Openeye Name: N-(o-tolyl)-3-oxo-2-[[[3-(trifluoromethyl)phenyl]carbamothioylamino]methylene]butanamide CAS Name: N-(2-methylphenyl)-3-oxo-2-[[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]methylidene]butanamide IUPAC Name: N-(2-methylphenyl)-3-oxo-2-[[[3-(trifluoromethyl)phenyl]carbamothioylamino]methylidene]butanamide Traditional Name: 2-acetyl-N-(o-tolyl)-3-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]acrylamide Formula: C20H18F3N3O2S MolecularWeight: 421.43603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CNC(=S)NC2=CC=CC(=C2)C(F)(F)F)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(=CNC(=S)NC2=CC=CC(=C2)C(F)(F)F)C(=O)C

InChI

InChI=1S/C20H18F3N3O2S/c1-12-6-3-4-9-17(12)26-18(28)16(13(2)27)11-24-19(29)25-15-8-5-7-14(10-15)20(21,22)23/h3-11H,1-2H3,(H,26,28)(H2,24,25,29)