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(5E)-1-acetyl-5-[(6-methoxy-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SpectraBase Compound ID 7SxP7G6OKqJ
InChI InChI=1S/C21H22N4O3S/c1-13(26)25-18(20(27)23-21(25)29)12-15-10-14-11-16(28-2)6-7-17(14)22-19(15)24-8-4-3-5-9-24/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,27,29)/b18-12+
InChIKey YSUSOZARZSVROM-LDADJPATSA-N
Mol Weight 410.49 g/mol
Molecular Formula C21H22N4O3S
Exact Mass 410.141262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID As70c1Nwdnf
Name (5E)-1-acetyl-5-[(6-methoxy-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N4O3S
InChI InChI=1S/C21H22N4O3S/c1-13(26)25-18(20(27)23-21(25)29)12-15-10-14-11-16(28-2)6-7-17(14)22-19(15)24-8-4-3-5-9-24/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,27,29)/b18-12+
InChIKey YSUSOZARZSVROM-LDADJPATSA-N
Molecular Weight 410.492 g/mol
SMILES N1C(\C(N(C1=S)C(=O)C)=C/c1c(nc2c(c1)cc(cc2)OC)N1CCCCC1)=O
SPLASH splash10-0006-9110000000-c3b8ea87a98a3ee94745
Synonyms (5E)-1-acetyl-5-[(6-methoxy-2-piperidino-3-quinolyl)methylene]-2-thioxo-4-imidazolidinone (5E)-1-acetyl-5-[[6-methoxy-2-(1-piperidinyl)-3-quinolinyl]methylidene]-2-sulfanylidene-4-imidazolidinone (5E)-1-acetyl-5-[[6-methoxy-2-(1-piperidyl)-3-quinolyl]methylene]-2-thioxo-imidazolidin-4-one (5E)-1-ethanoyl-5-[(6-methoxy-2-piperidin-1-yl-quinolin-3-yl)methylidene]-2-sulfanylidene-imidazolidin-4-one
Wiley ID 1463555