methyl 4-[(4-bromanyl-2-fluoranyl-phenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(4-bromanyl-2-fluoranyl-phenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(4-bromo-2-fluoro-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(4-bromo-2-fluoroanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-bromo-2-fluorophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-bromo-2-fluoro-phenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C12H14BrFN2O2S MolecularWeight: 349.219163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrFN2O2S/c1-18-11(17)3-2-6-15-12(19)16-10-5-4-8(13)7-9(10)14/h4-5,7H,2-3,6H2,1H3,(H2,15,16,19)