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N,N'-Butylene-Bridged Bis{tert-butyl 2-[(1E)-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)ethyl]hydrazinecarboxylate}
SpectraBase Compound ID FzVvDWug7PV
InChI InChI=1S/C24H36N6O6S4/c1-13(25-27-19(33)35-23(3,4)5)15-17(31)29(21(37)39-15)11-9-10-12-30-18(32)16(40-22(30)38)14(2)26-28-20(34)36-24(6,7)8/h25-26H,9-12H2,1-8H3,(H,27,33)(H,28,34)/b15-13+,16-14+
InChIKey PCRFUTGECWGCEO-WXUKJITCSA-N
Mol Weight 632.8 g/mol
Molecular Formula C24H36N6O6S4
Exact Mass 632.157918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I55lqqWHn4e
Name N,N'-Butylene-Bridged Bis{tert-butyl 2-[(1E)-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)ethyl]hydrazinecarboxylate}
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36N6O6S4
InChI InChI=1S/C24H36N6O6S4/c1-13(25-27-19(33)35-23(3,4)5)15-17(31)29(21(37)39-15)11-9-10-12-30-18(32)16(40-22(30)38)14(2)26-28-20(34)36-24(6,7)8/h25-26H,9-12H2,1-8H3,(H,27,33)(H,28,34)/b15-13+,16-14+
InChIKey PCRFUTGECWGCEO-WXUKJITCSA-N
Literature Reference DOI 10.1021/ol900545v
Molecular Weight 632.828 g/mol
SMILES N(\C(=C/1SC(N(CCCCN2C(\C(=C/(C)NNC(OC(C)(C)C)=O)SC2=S)=O)C1=O)=S)C)NC(OC(C)(C)C)=O
SPLASH splash10-03e9-0942000000-7e85f95ba251f0a6e701
Source of Spectrum A1-11-2265/SMS9-4w
Synonyms Di-tert-butyl 2,2'-((1E,1'E)-(3,3'-(butane-1,4-diyl)bis(4-oxo-2-thioxothiazolidin-3-yl-5-ylidene))bis(ethan-1-yl-1-ylidene))bis(hydrazinecarboxylate)
Wiley ID 1756772