methyl 4-[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[sulfanylidene-[4-(trifluoromethoxy)anilino]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[4-(trifluoromethoxy)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C13H15F3N2O3S MolecularWeight: 336.33001

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=CC=C(C=C1)OC(F)(F)F

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC=C(C=C1)OC(F)(F)F

InChI

InChI=1S/C13H15F3N2O3S/c1-20-11(19)3-2-8-17-12(22)18-9-4-6-10(7-5-9)21-13(14,15)16/h4-7H,2-3,8H2,1H3,(H2,17,18,22)