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2-(hexahydro-1,5-dimethyl-4-oxo-6-thioxo-3-tosyl-1,3,5-triazine-2-ylidenamino)-N,N,2-trimethylpropionamide
SpectraBase Compound ID F3m9nPe9pv3
InChI InChI=1S/C18H25N5O4S2/c1-12-8-10-13(11-9-12)29(26,27)23-15(19-18(2,3)14(24)20(4)5)21(6)17(28)22(7)16(23)25/h8-11H,1-7H3/b19-15+
InChIKey MDUDQFLKADDIDW-XDJHFCHBSA-N
Mol Weight 439.55 g/mol
Molecular Formula C18H25N5O4S2
Exact Mass 439.134797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6pN4vcpJJF3
Name 2-(hexahydro-1,5-dimethyl-4-oxo-6-thioxo-3-tosyl-1,3,5-triazine-2-ylidenamino)-N,N,2-trimethylpropionamide
CAS Registry Number 106568-57-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25N5O4S2
InChI InChI=1S/C18H25N5O4S2/c1-12-8-10-13(11-9-12)29(26,27)23-15(19-18(2,3)14(24)20(4)5)21(6)17(28)22(7)16(23)25/h8-11H,1-7H3/b19-15+
InChIKey MDUDQFLKADDIDW-XDJHFCHBSA-N
Molecular Weight 439.549 g/mol
SMILES CN1\C(N(C(N(C1=S)C)=O)S(c1ccc(cc1)C)(=O)=O)=N\C(C(N(C)C)=O)(C)C
SPLASH splash10-015c-9014000000-868226136d96bee1018d
Source of Spectrum K-120-408-7
Synonyms 2-[((2E)-1,5-dimethyl-3-[(4-methylphenyl)sulfonyl]-4-oxo-6-thioxotetrahydro-1,3,5-triazin-2(1H)-ylidene)amino]-N,N,2-trimethylpropanamide
Wiley ID 1384372