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

Systemtic Name: N-(cyanomethyl)-3-methylsulfonyl-2-[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]propanamide Openeye Name: N-(cyanomethyl)-3-methylsulfonyl-2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]propanamide CAS Name: N-(cyanomethyl)-3-methylsulfonyl-2-[[sulfanylidene-[4-(trifluoromethoxy)anilino]methyl]amino]propanamide IUPAC Name: N-(cyanomethyl)-3-methylsulfonyl-2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]propanamide Traditional Name: N-(cyanomethyl)-3-mesyl-2-[[4-(trifluoromethoxy)phenyl]thiocarbamoylamino]propionamide Formula: C14H15F3N4O4S2 MolecularWeight: 424.41851

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(C(=O)NCC#N)NC(=S)NC1=CC=C(C=C1)OC(F)(F)F

Isomeric SMILES

CS(=O)(=O)CC(C(=O)NCC#N)NC(=S)NC1=CC=C(C=C1)OC(F)(F)F

InChI

InChI=1S/C14H15F3N4O4S2/c1-27(23,24)8-11(12(22)19-7-6-18)21-13(26)20-9-2-4-10(5-3-9)25-14(15,16)17/h2-5,11H,7-8H2,1H3,(H,19,22)(H2,20,21,26)