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5-Carbamoyl-2-(3,3-diethylthioureido)-4-methylthiophene-3-carboxyloic acid
SpectraBase Compound ID BIqwU46iqWr
InChI InChI=1S/C12H17N3O3S2/c1-4-15(5-2)12(19)14-10-7(11(17)18)6(3)8(20-10)9(13)16/h4-5H2,1-3H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKey QYIUHKAMWFMPDV-UHFFFAOYSA-N
Mol Weight 315.41 g/mol
Molecular Formula C12H17N3O3S2
Exact Mass 315.071134 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ia4tmry5vGn
Name 5-Carbamoyl-2-(3,3-diethylthioureido)-4-methylthiophene-3-carboxyloic acid
Comments Removed - expert review: contamination (acetone))
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Formula C12H17N3O3S2
InChI InChI=1S/C12H17N3O3S2/c1-4-15(5-2)12(19)14-10-7(11(17)18)6(3)8(20-10)9(13)16/h4-5H2,1-3H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKey QYIUHKAMWFMPDV-UHFFFAOYSA-N
Molecular Weight 315.406 g/mol
SMILES NC(c1c(c(c(s1)NC(=S)N(CC)CC)C(=O)O)C)=O
SPLASH splash10-0a4i-9000000000-da210934f6ccd1e45700
Source of Spectrum F2-42-5444-45
Synonyms 5-(aminocarbonyl)-2-{[(diethylamino)carbothioyl]amino}-4-methyl-3-thiophenecarboxylic acid 5-carbamoyl-2-[[diethylamino(sulfanylidene)methyl]amino]-4-methyl-3-thiophenecarboxylic acid 5-carbamoyl-2-(diethylcarbamothioylamino)-4-methylthiophene-3-carboxylic acid 5-carbamoyl-2-(diethylcarbamothioylamino)-4-methyl-thiophene-3-carboxylic acid 5-aminocarbonyl-2-(diethylcarbamothioylamino)-4-methyl-thiophene-3-carboxylic acid
Wiley ID 1600493