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carbamimidothioic acid, N-[4-(chlorodifluoromethoxy)phenyl]-N'-[(E)-phenylmethyl]-, 1-(3,5-dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl ester
SpectraBase Compound ID Dti7caLvuKf
InChI InChI=1S/C25H18Cl3F2N3O3S/c26-16-10-17(27)12-19(11-16)33-22(34)13-21(23(33)35)37-24(31-14-15-4-2-1-3-5-15)32-18-6-8-20(9-7-18)36-25(28,29)30/h1-12,21H,13-14H2,(H,31,32)
InChIKey GKGQUALCWFFNKH-UHFFFAOYSA-N
Mol Weight 584.85 g/mol
Molecular Formula C25H18Cl3F2N3O3S
Exact Mass 583.010252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UsCjeQScYA
Name 3-Benzyl-1-[4-[chloro(difluoro)methoxy]phenyl]-2-[1-(3,5-dichlorophenyl)-2,5-diketo-pyrrolidin-3-yl]isothiourea
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Formula C25H18Cl3F2N3O3S
InChI InChI=1S/C25H18Cl3F2N3O3S/c26-16-10-17(27)12-19(11-16)33-22(34)13-21(23(33)35)37-24(31-14-15-4-2-1-3-5-15)32-18-6-8-20(9-7-18)36-25(28,29)30/h1-12,21H,13-14H2,(H,31,32)
InChIKey GKGQUALCWFFNKH-UHFFFAOYSA-N
Molecular Weight 584.853 g/mol
SMILES N(\C(SC1C(N(C(C1)=O)c1cc(Cl)cc(c1)Cl)=O)=N/c1ccc(OC(F)(Cl)F)cc1)Cc1ccccc1
SPLASH splash10-0006-9222000000-3176a67ff3552b708da7
Synonyms 3-Benzyl-1-[4-[chloro(difluoro)methoxy]phenyl]-2-[1-(3,5-dichlorophenyl)-2,5-dioxo-pyrrolidin-3-yl]isothiourea N-[4-[chloro(difluoro)methoxy]phenyl]-N'-(phenylmethyl)carbamimidothioic acid [1-(3,5-dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl] ester [1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl] N'-benzyl-N-[4-[chloro(difluoro)methoxy]phenyl]carbamimidothioate
Wiley ID 1447994