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p-[3-(p-methoxyphenyl)-2-thioureido]benzoic acid, ethyl ester
SpectraBase Compound ID DdSo5czPmpZ
InChI InChI=1S/C17H18N2O3S/c1-3-22-16(20)12-4-6-13(7-5-12)18-17(23)19-14-8-10-15(21-2)11-9-14/h4-11H,3H2,1-2H3,(H2,18,19,23)
InChIKey WTCWMMUBLZKBQQ-UHFFFAOYSA-N
Mol Weight 330.4 g/mol
Molecular Formula C17H18N2O3S
Exact Mass 330.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQXQpG34b7N
Name Ethyl 4-([(4-methoxyanilino)carbothioyl]amino)benzoate
CAS Registry Number 1164-21-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2O3S
InChI InChI=1S/C17H18N2O3S/c1-3-22-16(20)12-4-6-13(7-5-12)18-17(23)19-14-8-10-15(21-2)11-9-14/h4-11H,3H2,1-2H3,(H2,18,19,23)
InChIKey WTCWMMUBLZKBQQ-UHFFFAOYSA-N
Molecular Weight 330.402 g/mol
SMILES N(C(Nc1ccc(C(=O)OCC)cc1)=S)c1ccc(cc1)OC
SPLASH splash10-074i-3910000000-876cbd2532e434b993a5
Source of Spectrum AD-0-2532-0
Synonyms 4-[(4-methoxyphenyl)thiocarbamoylamino]benzoic acid ethyl ester 4-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester Ethyl 4-[(4-methoxyphenyl)carbamothioylamino]benzoate
Wiley ID 1433106