N-[1-(cyanomethylamino)-1-oxidanylidene-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-yl]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-1-oxidanylidene-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-yl]benzamide Openeye Name: N-[2-(cyanomethylamino)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methylsulfanylmethyl]ethyl]benzamide CAS Name: N-[1-(cyanomethylamino)-1-oxo-3-[[4-(trifluoromethyl)phenyl]methylthio]propan-2-yl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-1-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-yl]benzamide Traditional Name: N-[2-(cyanomethylamino)-2-keto-1-[[[4-(trifluoromethyl)benzyl]thio]methyl]ethyl]benzamide Formula: C20H18F3N3O2S MolecularWeight: 421.43603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CSCC2=CC=C(C=C2)C(F)(F)F)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CSCC2=CC=C(C=C2)C(F)(F)F)C(=O)NCC#N

InChI

InChI=1S/C20H18F3N3O2S/c21-20(22,23)16-8-6-14(7-9-16)12-29-13-17(19(28)25-11-10-24)26-18(27)15-4-2-1-3-5-15/h1-9,17H,11-13H2,(H,25,28)(H,26,27)