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2-Butenediamide, N,N'-bis[N-(methylthiocarbonyl)carbamoyl]-, (E)-
SpectraBase Compound ID ohlA9kUrTv
InChI InChI=1S/C10H12N4O6S2/c1-21-9(19)13-7(17)11-5(15)3-4-6(16)12-8(18)14-10(20)22-2/h3-4H,1-2H3,(H2,11,13,15,17,19)(H2,12,14,16,18,20)/b4-3+
InChIKey NEMBTOAVUOBNFL-ONEGZZNKSA-N
Mol Weight 348.35 g/mol
Molecular Formula C10H12N4O6S2
Exact Mass 348.019826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Au1VZcdjLk7
Name 2-Butenediamide, N,N'-bis[N-(methylthiocarbonyl)carbamoyl]-, (E)-
Alternate Name(s) N-[[(E)-4-keto-4-[(methylthio)carbonylcarbamoylamino]but-2-enoyl]carbamoyl]thiocarbamic acid S-methyl ester N-[[[(E)-4-[[[[(methylthio)-oxomethyl]amino]-oxomethyl]amino]-1,4-dioxobut-2-enyl]amino]-oxomethyl]carbamothioic acid S-methyl ester S-Methyl (4E)-3,6,8,10-tetraoxo-11-thia-2,7,9-triazadodec-4-en-1-anoylthiocarbamate S-methyl N-[[(E)-4-(methylsulfanylcarbonylcarbamoylamino)-4-oxidanylidene-but-2-enoyl]carbamoyl]carbamothioate S-methyl N-[[(E)-4-(methylsulfanylcarbonylcarbamoylamino)-4-oxo-but-2-enoyl]carbamoyl]carbamothioate
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Formula C10H12N4O6S2
InChI InChI=1S/C10H12N4O6S2/c1-21-9(19)13-7(17)11-5(15)3-4-6(16)12-8(18)14-10(20)22-2/h3-4H,1-2H3,(H2,11,13,15,17,19)(H2,12,14,16,18,20)/b4-3+
InChIKey NEMBTOAVUOBNFL-ONEGZZNKSA-N
Molecular Weight 348.348 g/mol
SMILES N(C(NC(SC)=O)=O)C(\C=C\C(=O)NC(=O)NC(=O)SC)=O
SPLASH splash10-002b-9210000000-0fbcb5ec90ef6c7e6b29
Wiley ID 1497461