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carbamimidothioic acid, N'-[(Z)-ethyl]-N-(4-iodophenyl)-, 1-[4-(chlorodifluoromethoxy)phenyl]-2,5-dioxo-3-pyrrolidinyl ester
SpectraBase Compound ID 2l9iPI763Yj
InChI InChI=1S/C20H17ClF2IN3O3S/c1-2-25-19(26-13-5-3-12(24)4-6-13)31-16-11-17(28)27(18(16)29)14-7-9-15(10-8-14)30-20(21,22)23/h3-10,16H,2,11H2,1H3,(H,25,26)
InChIKey WPFSXMZNRBBXEA-UHFFFAOYSA-N
Mol Weight 579.79 g/mol
Molecular Formula C20H17ClF2IN3O3S
Exact Mass 578.969192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DINcV0IDs2J
Name 2-[1-[4-[chloro(difluoro)methoxy]phenyl]-2,5-diketo-pyrrolidin-3-yl]-3-ethyl-1-(4-iodophenyl)isothiourea
Alternate Name(s) 2-[1-[4-[chloro(difluoro)methoxy]phenyl]-2,5-dioxo-pyrrolidin-3-yl]-3-ethyl-1-(4-iodophenyl)isothiourea N'-ethyl-N-(4-iodophenyl)carbamimidothioic acid [1-[4-[chloro(difluoro)methoxy]phenyl]-2,5-dioxo-3-pyrrolidinyl] ester [1-[4-[chloro(difluoro)methoxy]phenyl]-2,5-dioxopyrrolidin-3-yl] N'-ethyl-N-(4-iodophenyl)carbamimidothioate
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Formula C20H17ClF2IN3O3S
InChI InChI=1S/C20H17ClF2IN3O3S/c1-2-25-19(26-13-5-3-12(24)4-6-13)31-16-11-17(28)27(18(16)29)14-7-9-15(10-8-14)30-20(21,22)23/h3-10,16H,2,11H2,1H3,(H,25,26)
InChIKey WPFSXMZNRBBXEA-UHFFFAOYSA-N
Molecular Weight 579.788 g/mol
SMILES N(\C(SC1C(N(C(C1)=O)c1ccc(OC(Cl)(F)F)cc1)=O)=N/c1ccc(cc1)I)CC
SPLASH splash10-0a4i-9653010000-0f124cce4ae1a387151a
Wiley ID 1448244