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

Systemtic Name: methyl 4-[[4-[bis(fluoranyl)methoxy]phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[4-(difluoromethoxy)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-(difluoromethoxy)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(difluoromethoxy)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[4-(difluoromethoxy)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C13H16F2N2O3S MolecularWeight: 318.339546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16F2N2O3S/c1-19-11(18)3-2-8-16-13(21)17-9-4-6-10(7-5-9)20-12(14)15/h4-7,12H,2-3,8H2,1H3,(H2,16,17,21)