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2(-2-(Benzoylmercapto)benzoylamino)-6-hexanoylaminopyridine
SpectraBase Compound ID H1fyzZXZOQL
InChI InChI=1S/C25H25N3O3S/c1-2-3-5-17-23(29)27-21-15-10-16-22(26-21)28-24(30)19-13-8-9-14-20(19)32-25(31)18-11-6-4-7-12-18/h4,6-16H,2-3,5,17H2,1H3,(H2,26,27,28,29,30)
InChIKey GFXOKBPBPPDDFP-UHFFFAOYSA-N
Mol Weight 447.55 g/mol
Molecular Formula C25H25N3O3S
Exact Mass 447.161663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AaAzfea9Jr2
Name 2(-2-(Benzoylmercapto)benzoylamino)-6-hexanoylaminopyridine
Alternate Name(s) S-[2-({[6-(hexanoylamino)-2-pyridinyl]amino}carbonyl)phenyl]benzenecarbothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25N3O3S
InChI InChI=1S/C25H25N3O3S/c1-2-3-5-17-23(29)27-21-15-10-16-22(26-21)28-24(30)19-13-8-9-14-20(19)32-25(31)18-11-6-4-7-12-18/h4,6-16H,2-3,5,17H2,1H3,(H2,26,27,28,29,30)
InChIKey GFXOKBPBPPDDFP-UHFFFAOYSA-N
Molecular Weight 447.553 g/mol
SMILES N(C(c1c(SC(=O)c2ccccc2)cccc1)=O)c1nc(ccc1)NC(=O)CCCCC
SPLASH splash10-0bt9-3942000000-b0847b3cd8ae0dd96133
Source of Spectrum F-51-446-0
Wiley ID 790631