methyl 4-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]carbamothioylamino]butanoate Openeye Name: methyl 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamothioylamino]butanoate CAS Name: 4-[[[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamothioylamino]butanoate Traditional Name: 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)thiocarbamoylamino]butyric acid methyl ester Formula: C13H14F2N2O4S MolecularWeight: 332.323066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=CC2=C(C=C1)OC(O2)(F)F

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC2=C(C=C1)OC(O2)(F)F

InChI

InChI=1S/C13H14F2N2O4S/c1-19-11(18)3-2-6-16-12(22)17-8-4-5-9-10(7-8)21-13(14,15)20-9/h4-5,7H,2-3,6H2,1H3,(H2,16,17,22)