N-(cyanomethyl)-3-phenyl-2-[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]propanamide

Systemtic Name: N-(cyanomethyl)-3-phenyl-2-[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]propanamide Openeye Name: N-(cyanomethyl)-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]propanamide CAS Name: N-(cyanomethyl)-3-phenyl-2-[[sulfanylidene-[4-(trifluoromethoxy)anilino]methyl]amino]propanamide IUPAC Name: N-(cyanomethyl)-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]propanamide Traditional Name: N-(cyanomethyl)-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]thiocarbamoylamino]propionamide Formula: C19H17F3N4O2S MolecularWeight: 422.42409

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC#N)NC(=S)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCC#N)NC(=S)NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C19H17F3N4O2S/c20-19(21,22)28-15-8-6-14(7-9-15)25-18(29)26-16(17(27)24-11-10-23)12-13-4-2-1-3-5-13/h1-9,16H,11-12H2,(H,24,27)(H2,25,26,29)