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1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl-methyl-amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
SpectraBase Compound ID GaLkULLsAz4
InChI InChI=1S/C25H29N3O3S/c1-17-10-9-11-18(2)22(17)27-23(30)25(14-7-4-8-15-25)28(3)21(29)16-32-24-26-19-12-5-6-13-20(19)31-24/h5-6,9-13H,4,7-8,14-16H2,1-3H3,(H,27,30)
InChIKey PHEYOVBRDOSPCW-UHFFFAOYSA-N
Mol Weight 451.59 g/mol
Molecular Formula C25H29N3O3S
Exact Mass 451.192963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XeYlwSq1Fx
Name 1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl-methyl-amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
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Formula C25H29N3O3S
InChI InChI=1S/C25H29N3O3S/c1-17-10-9-11-18(2)22(17)27-23(30)25(14-7-4-8-15-25)28(3)21(29)16-32-24-26-19-12-5-6-13-20(19)31-24/h5-6,9-13H,4,7-8,14-16H2,1-3H3,(H,27,30)
InChIKey PHEYOVBRDOSPCW-UHFFFAOYSA-N
Molecular Weight 451.585 g/mol
SMILES N(C(C1(N(C(CSc2nc3ccccc3o2)=O)C)CCCCC1)=O)c1c(cccc1C)C
SPLASH splash10-03di-4901000000-bafbb8cc6968d201e151
Synonyms 1-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-methyl-amino]-N-(2,6-dimethylphenyl)cyclohexanecarboxamide 1-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-methylamino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide 1-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)-1-cyclohexanecarboxamide 1-[[2-(1,3-benzoxazol-2-ylthio)acetyl]-methyl-amino]-N-(2,6-dimethylphenyl)cyclohexanecarboxamide
Wiley ID 1461990