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benzoic acid, 4-[[[(3-bromo-4-methoxybenzoyl)amino]carbonothioyl]amino]-, 1-methylethyl ester
SpectraBase Compound ID CB9t0kukyUP
InChI InChI=1S/C19H19BrN2O4S/c1-11(2)26-18(24)12-4-7-14(8-5-12)21-19(27)22-17(23)13-6-9-16(25-3)15(20)10-13/h4-11H,1-3H3,(H2,21,22,23,27)
InChIKey XGWGIFLNPREJPJ-UHFFFAOYSA-N
Mol Weight 451.34 g/mol
Molecular Formula C19H19BrN2O4S
Exact Mass 450.024891 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Driv0fMrNrp
Name 4-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]benzoic acid isopropyl ester
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Formula C19H19BrN2O4S
InChI InChI=1S/C19H19BrN2O4S/c1-11(2)26-18(24)12-4-7-14(8-5-12)21-19(27)22-17(23)13-6-9-16(25-3)15(20)10-13/h4-11H,1-3H3,(H2,21,22,23,27)
InChIKey XGWGIFLNPREJPJ-UHFFFAOYSA-N
Molecular Weight 451.335 g/mol
SMILES N(C(NC(c1cc(Br)c(cc1)OC)=O)=S)c1ccc(C(OC(C)C)=O)cc1
SPLASH splash10-03xr-8950000000-ca846f1ece3ba4d64936
Synonyms 4-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester Isopropyl 4-({[(3-bromo-4-methoxybenzoyl)amino]carbothioyl}amino)benzoate isopropyl 4-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]benzoate Propan-2-yl 4-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]benzoate Propan-2-yl 4-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]benzoate
Wiley ID 1452015