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Benzoic acid, 2-[3-(3-phenylpropionyl)thioureido]-, methyl ester
SpectraBase Compound ID EICyN42BTOE
InChI InChI=1S/C18H18N2O3S/c1-23-17(22)14-9-5-6-10-15(14)19-18(24)20-16(21)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,19,20,21,24)
InChIKey XFTNLWJIKIGNSM-UHFFFAOYSA-N
Mol Weight 342.41 g/mol
Molecular Formula C18H18N2O3S
Exact Mass 342.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1N4p94UNZzt
Name Benzoic acid, 2-[3-(3-phenylpropionyl)thioureido]-, methyl ester
Alternate Name(s) 2-(hydrocinnamoylthiocarbamoylamino)benzoic acid methyl ester 2-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester Methyl 2-(3-phenylpropanoylcarbamothioylamino)benzoate Methyl 2-({[(3-phenylpropanoyl)amino]carbothioyl}amino)benzoate
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Formula C18H18N2O3S
InChI InChI=1S/C18H18N2O3S/c1-23-17(22)14-9-5-6-10-15(14)19-18(24)20-16(21)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,19,20,21,24)
InChIKey XFTNLWJIKIGNSM-UHFFFAOYSA-N
Molecular Weight 342.413 g/mol
SMILES N(C(Nc1c(C(=O)OC)cccc1)=S)C(=O)CCc1ccccc1
SPLASH splash10-052f-5901000000-8e374b997be5154f6320
Wiley ID 1437364