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1-[4-[chloro(difluoro)methoxy]phenyl]-2-[1-(2,4-dimethylphenyl)-2,5-diketo-pyrrolidin-3-yl]-3-phenethyl-isothiourea
SpectraBase Compound ID KkR9XYbLXNK
InChI InChI=1S/C28H26ClF2N3O3S/c1-18-8-13-23(19(2)16-18)34-25(35)17-24(26(34)36)38-27(32-15-14-20-6-4-3-5-7-20)33-21-9-11-22(12-10-21)37-28(29,30)31/h3-13,16,24H,14-15,17H2,1-2H3,(H,32,33)
InChIKey VSYDXTCZUVFPLJ-UHFFFAOYSA-N
Mol Weight 558.04 g/mol
Molecular Formula C28H26ClF2N3O3S
Exact Mass 557.135147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9SsXH4UEXm
Name 1-[4-[chloro(difluoro)methoxy]phenyl]-2-[1-(2,4-dimethylphenyl)-2,5-diketo-pyrrolidin-3-yl]-3-phenethyl-isothiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H26ClF2N3O3S
InChI InChI=1S/C28H26ClF2N3O3S/c1-18-8-13-23(19(2)16-18)34-25(35)17-24(26(34)36)38-27(32-15-14-20-6-4-3-5-7-20)33-21-9-11-22(12-10-21)37-28(29,30)31/h3-13,16,24H,14-15,17H2,1-2H3,(H,32,33)
InChIKey VSYDXTCZUVFPLJ-UHFFFAOYSA-N
Molecular Weight 558.044 g/mol
SMILES N(\C(SC1C(N(C(C1)=O)c1c(cc(cc1)C)C)=O)=N/c1ccc(OC(F)(F)Cl)cc1)CCc1ccccc1
SPLASH splash10-0ab9-6912000000-73aad1d1a523908bd452
Synonyms N-[4-[chloro(difluoro)methoxy]phenyl]-N'-(2-phenylethyl)carbamimidothioic acid [1-(2,4-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl] ester [1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl] N-[4-[chloro(difluoro)methoxy]phenyl]-N'-(2-phenylethyl)carbamimidothioate 1-[4-[chloro(difluoro)methoxy]phenyl]-2-[1-(2,4-dimethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-(2-phenylethyl)isothiourea
Wiley ID 1448175