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2-(2-Thiazolin-2-ylthio)-N-[4-[[2-(2-thiazolin-2-ylthio)acetyl]amino]phenyl]acetamide
SpectraBase Compound ID 8M7VLvasXUm
InChI InChI=1S/C16H18N4O2S4/c21-13(9-25-15-17-5-7-23-15)19-11-1-2-12(4-3-11)20-14(22)10-26-16-18-6-8-24-16/h1-4H,5-10H2,(H,19,21)(H,20,22)
InChIKey GPJXGDCNDMCQIJ-UHFFFAOYSA-N
Mol Weight 426.6 g/mol
Molecular Formula C16H18N4O2S4
Exact Mass 426.031261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JnD4amigyxG
Name 2-(2-Thiazolin-2-ylthio)-N-[4-[[2-(2-thiazolin-2-ylthio)acetyl]amino]phenyl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 426.031260530 u
Formula C16H18N4O2S4
InChI InChI=1S/C16H18N4O2S4/c21-13(9-25-15-17-5-7-23-15)19-11-1-2-12(4-3-11)20-14(22)10-26-16-18-6-8-24-16/h1-4H,5-10H2,(H,19,21)(H,20,22)
InChIKey GPJXGDCNDMCQIJ-UHFFFAOYSA-N
Molecular Weight 426.586 g/mol
SMILES C1(=NCCS1)SCC(NC1=CC=C(NC(=O)CSC2=NCCS2)C=C1)=O