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Benzoic acid, 4-[[[4-(2-phenylacetyl)-1-piperazinyl]carbonothioyl]amino]-, ethyl ester
SpectraBase Compound ID 2opwaaVddwQ
InChI InChI=1S/C22H25N3O3S/c1-2-28-21(27)18-8-10-19(11-9-18)23-22(29)25-14-12-24(13-15-25)20(26)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,23,29)
InChIKey KHBJEXPTBGMZIP-UHFFFAOYSA-N
Mol Weight 411.52 g/mol
Molecular Formula C22H25N3O3S
Exact Mass 411.161663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GKioWV4LvMx
Name Benzoic acid, 4-[[[4-(2-phenylacetyl)-1-piperazinyl]carbonothioyl]amino]-, ethyl ester
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Formula C22H25N3O3S
InChI InChI=1S/C22H25N3O3S/c1-2-28-21(27)18-8-10-19(11-9-18)23-22(29)25-14-12-24(13-15-25)20(26)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,23,29)
InChIKey KHBJEXPTBGMZIP-UHFFFAOYSA-N
Molecular Weight 411.520 g/mol
SMILES N(c1ccc(cc1)C(OCC)=O)C(N1CCN(CC1)C(=O)Cc1ccccc1)=S
SPLASH splash10-08fu-9410000000-b01d680553d8023a8947
Source of Spectrum IY-2-4992-5
Synonyms Ethyl 4-({[4-(2-phenylacetyl)piperazin-1-yl]methanethioyl}amino)benzoate 4-[[[4-(1-oxo-2-phenylethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester Ethyl 4-[[4-(2-phenylacetyl)piperazine-1-carbothioyl]amino]benzoate Ethyl 4-[[4-(2-phenylethanoyl)piperazin-1-yl]carbothioylamino]benzoate
Wiley ID 1657908