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2-Chloro-5-[(3-chloro-4-methoxy-benzoyl)thiocarbamoylamino]benzoic acid butyl ester
SpectraBase Compound ID KNDsAz33uD6
InChI InChI=1S/C20H20Cl2N2O4S/c1-3-4-9-28-19(26)14-11-13(6-7-15(14)21)23-20(29)24-18(25)12-5-8-17(27-2)16(22)10-12/h5-8,10-11H,3-4,9H2,1-2H3,(H2,23,24,25,29)
InChIKey KVOTXCLABVXDME-UHFFFAOYSA-N
Mol Weight 455.36 g/mol
Molecular Formula C20H20Cl2N2O4S
Exact Mass 454.052084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFna4OjxEUi
Name 2-Chloro-5-[(3-chloro-4-methoxy-benzoyl)thiocarbamoylamino]benzoic acid butyl ester
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Formula C20H20Cl2N2O4S
InChI InChI=1S/C20H20Cl2N2O4S/c1-3-4-9-28-19(26)14-11-13(6-7-15(14)21)23-20(29)24-18(25)12-5-8-17(27-2)16(22)10-12/h5-8,10-11H,3-4,9H2,1-2H3,(H2,23,24,25,29)
InChIKey KVOTXCLABVXDME-UHFFFAOYSA-N
Molecular Weight 455.356 g/mol
SMILES N(C(NC(c1cc(Cl)c(cc1)OC)=O)=S)c1cc(C(=O)OCCCC)c(cc1)Cl
SPLASH splash10-01di-4900000000-fb497dab5e19eb702185
Synonyms 2-Chloro-5-[[[[(3-chloro-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester Butyl 2-chloranyl-5-[(3-chloranyl-4-methoxy-phenyl)carbonylcarbamothioylamino]benzoate Butyl 2-chloro-5-({[(3-chloro-4-methoxybenzoyl)amino]carbothioyl}amino)benzoate Butyl 2-chloro-5-[(3-chloro-4-methoxy-benzoyl)carbamothioylamino]benzoate
Wiley ID 1452452