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Methyl N,N'-di(2-phenylquinolin-3-ylcarbonyl)-imidothiocarbamate
SpectraBase Compound ID B7DRaJpTsO4
InChI InChI=1S/C34H24N4O2S/c1-41-34(37-32(39)26-20-24-16-8-10-18-28(24)35-30(26)22-12-4-2-5-13-22)38-33(40)27-21-25-17-9-11-19-29(25)36-31(27)23-14-6-3-7-15-23/h2-21H,1H3,(H,37,38,39,40)
InChIKey IPKKHUNIIXAIPQ-UHFFFAOYSA-N
Mol Weight 552.7 g/mol
Molecular Formula C34H24N4O2S
Exact Mass 552.161997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FX2NAXyiWqa
Name Methyl N,N'-di(2-phenylquinolin-3-ylcarbonyl)-imidothiocarbamate
Alternate Name(s) N,N'-bis[oxo-(2-phenyl-3-quinolinyl)methyl]carbamimidothioic acid methyl ester methyl N,N'-bis(2-phenylquinoline-3-carbonyl)carbamimidothioate N-[C-methylsulfanyl-N-(2-phenylquinoline-3-carbonyl)carbonimidoyl]-2-phenyl-quinoline-3-carboxamide methyl N,N'-bis[(2-phenylquinolin-3-yl)carbonyl]carbamimidothioate
Comments Less than 3 mono-isotopic peaks
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Formula C34H24N4O2S
InChI InChI=1S/C34H24N4O2S/c1-41-34(37-32(39)26-20-24-16-8-10-18-28(24)35-30(26)22-12-4-2-5-13-22)38-33(40)27-21-25-17-9-11-19-29(25)36-31(27)23-14-6-3-7-15-23/h2-21H,1H3,(H,37,38,39,40)
InChIKey IPKKHUNIIXAIPQ-UHFFFAOYSA-N
Molecular Weight 552.652 g/mol
SMILES N(C(c1c(nc2c(c1)cccc2)-c1ccccc1)=O)\C(=N\C(c1c(nc2c(c1)cccc2)-c1ccccc1)=O)SC
SPLASH splash10-014i-9000000000-5cfe95e81cc71684c67a
Source of Spectrum F2-46-271-9a
Wiley ID 1689906