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Pyrrolidine, 3-[[imino[2-[1-(2-thienyl)ethylidene]hydrazino]methyl]thio]-2,5-dioxo-1-(4-propoxyphenyl)-
SpectraBase Compound ID Ico2PH5noj6
InChI InChI=1S/C20H22N4O3S2/c1-3-10-27-15-8-6-14(7-9-15)24-18(25)12-17(19(24)26)29-20(21)23-22-13(2)16-5-4-11-28-16/h4-9,11,17H,3,10,12H2,1-2H3,(H2,21,23)/b22-13+
InChIKey NCZUJHJGYMBGJG-LPYMAVHISA-N
Mol Weight 430.54 g/mol
Molecular Formula C20H22N4O3S2
Exact Mass 430.113333 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7LWeniQaXn
Name Pyrrolidine, 3-[[imino[2-[1-(2-thienyl)ethylidene]hydrazino]methyl]thio]-2,5-dioxo-1-(4-propoxyphenyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N4O3S2
InChI InChI=1S/C20H22N4O3S2/c1-3-10-27-15-8-6-14(7-9-15)24-18(25)12-17(19(24)26)29-20(21)23-22-13(2)16-5-4-11-28-16/h4-9,11,17H,3,10,12H2,1-2H3,(H2,21,23)/b22-13+
InChIKey NCZUJHJGYMBGJG-LPYMAVHISA-N
Molecular Weight 430.541 g/mol
SMILES N(\N=C\(c1sccc1)C)C(SC1C(N(C(C1)=O)c1ccc(cc1)OCCC)=O)=N
SPLASH splash10-000i-8910000000-6f44e80fff4f3ae9d02d
Source of Spectrum IY-1-4496-2
Synonyms N'-[(E)-1-thiophen-2-ylethylideneamino]carbamimidothioic acid [2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl] ester [2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl] N'-[(E)-1-thiophen-2-ylethylideneamino]carbamimidothioate 2-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-3-[(E)-1-(2-thienyl)ethylideneamino]isothiourea [2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl] N'-[(E)-1-thiophen-2-ylethylideneamino]carbamimidothioate
Wiley ID 1652945