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Benzoic acid, 4-[[2-[[1-(2-phenylethyl)-1H-1,3-benzimidazol-2-yl]thio]acetyl]amino]-, methyl ester
SpectraBase Compound ID K2lOaR0kBdr
InChI InChI=1S/C25H23N3O3S/c1-31-24(30)19-11-13-20(14-12-19)26-23(29)17-32-25-27-21-9-5-6-10-22(21)28(25)16-15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,26,29)
InChIKey VXOXGPFEEOEBQR-UHFFFAOYSA-N
Mol Weight 445.54 g/mol
Molecular Formula C25H23N3O3S
Exact Mass 445.146013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53NJvqPa42r
Name Benzoic acid, 4-[[2-[[1-(2-phenylethyl)-1H-1,3-benzimidazol-2-yl]thio]acetyl]amino]-, methyl ester
Alternate Name(s) Methyl 4-(2-{[1-(2-phenylethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetamido)benzoate 4-[[1-oxo-2-[[1-(2-phenylethyl)-2-benzimidazolyl]thio]ethyl]amino]benzoic acid methyl ester Methyl 4-[[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]amino]benzoate Methyl 4-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanoylamino]benzoate
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Formula C25H23N3O3S
InChI InChI=1S/C25H23N3O3S/c1-31-24(30)19-11-13-20(14-12-19)26-23(29)17-32-25-27-21-9-5-6-10-22(21)28(25)16-15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,26,29)
InChIKey VXOXGPFEEOEBQR-UHFFFAOYSA-N
Molecular Weight 445.537 g/mol
SMILES N(C(CSc1[n](c2c(cccc2)n1)CCc1ccccc1)=O)c1ccc(cc1)C(OC)=O
SPLASH splash10-03dl-4910000000-46b4647d76239df3ffac
Source of Spectrum IY-2-4972-2
Wiley ID 1657705