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

Systemtic Name: methyl 4-[[3,4-bis(fluoranyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[(3,4-difluorophenyl)carbamothioylamino]butanoate CAS Name: 4-[[(3,4-difluoroanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3,4-difluorophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3,4-difluorophenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C12H14F2N2O2S MolecularWeight: 288.313566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14F2N2O2S/c1-18-11(17)3-2-6-15-12(19)16-8-4-5-9(13)10(14)7-8/h4-5,7H,2-3,6H2,1H3,(H2,15,16,19)