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2-[(4-Acetyl-phenylcarbamoyl)-methylsulfanyl]-4,6-dimethyl-nicotinamide
SpectraBase Compound ID EkQiEJtuhSK
InChI InChI=1S/C18H19N3O3S/c1-10-8-11(2)20-18(16(10)17(19)24)25-9-15(23)21-14-6-4-13(5-7-14)12(3)22/h4-8H,9H2,1-3H3,(H2,19,24)(H,21,23)
InChIKey GVHRWZDQEOFUJU-UHFFFAOYSA-N
Mol Weight 357.43 g/mol
Molecular Formula C18H19N3O3S
Exact Mass 357.114713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbbzWoxXLoo
Name 2-[(4-Acetyl-phenylcarbamoyl)-methylsulfanyl]-4,6-dimethyl-nicotinamide
Alternate Name(s) 2-([2-(4-Acetylanilino)-2-oxoethyl]sulfanyl)-4,6-dimethylnicotinamide 2-[2-(4-acetylanilino)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxamide 2-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxamide 2-[[2-(4-acetylanilino)-2-keto-ethyl]thio]-4,6-dimethyl-nicotinamide 2-[[2-(4-acetylanilino)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarboxamide
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Formula C18H19N3O3S
InChI InChI=1S/C18H19N3O3S/c1-10-8-11(2)20-18(16(10)17(19)24)25-9-15(23)21-14-6-4-13(5-7-14)12(3)22/h4-8H,9H2,1-3H3,(H2,19,24)(H,21,23)
InChIKey GVHRWZDQEOFUJU-UHFFFAOYSA-N
Molecular Weight 357.428 g/mol
SMILES NC(c1c(SCC(Nc2ccc(C(=O)C)cc2)=O)nc(cc1C)C)=O
SPLASH splash10-00gi-2920000000-f849275c34a1051861f5
Wiley ID 1460741