methyl 4-[[2,3,4-tris(fluoranyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2,3,4-tris(fluoranyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[(2,3,4-trifluorophenyl)carbamothioylamino]butanoate CAS Name: 4-[[sulfanylidene-(2,3,4-trifluoroanilino)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2,3,4-trifluorophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2,3,4-trifluorophenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C12H13F3N2O2S MolecularWeight: 306.30403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3N2O2S/c1-19-9(18)3-2-6-16-12(20)17-8-5-4-7(13)10(14)11(8)15/h4-5H,2-3,6H2,1H3,(H2,16,17,20)