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

Systemtic Name: N-(cyanomethyl)-3-naphthalen-2-yl-2-[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]propanamide Openeye Name: N-(cyanomethyl)-3-(2-naphthyl)-2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]propanamide CAS Name: N-(cyanomethyl)-3-(2-naphthalenyl)-2-[[sulfanylidene-[4-(trifluoromethoxy)anilino]methyl]amino]propanamide IUPAC Name: N-(cyanomethyl)-3-naphthalen-2-yl-2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]propanamide Traditional Name: N-(cyanomethyl)-3-(2-naphthyl)-2-[[4-(trifluoromethoxy)phenyl]thiocarbamoylamino]propionamide Formula: C23H19F3N4O2S MolecularWeight: 472.48277

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)NCC#N)NC(=S)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)NCC#N)NC(=S)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C23H19F3N4O2S/c24-23(25,26)32-19-9-7-18(8-10-19)29-22(33)30-20(21(31)28-12-11-27)14-15-5-6-16-3-1-2-4-17(16)13-15/h1-10,13,20H,12,14H2,(H,28,31)(H2,29,30,33)