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2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl]-N-(4-chlorophenyl)ethanamide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl]-N-(4-chlorophenyl)ethanamide
SpectraBase Compound ID DOTkSGneDX5
InChI InChI=1S/C25H20ClN3O4S/c26-17-7-9-18(10-8-17)27-23(30)13-20-24(31)29(19-4-2-1-3-5-19)25(34)28(20)14-16-6-11-21-22(12-16)33-15-32-21/h1-12,20H,13-15H2,(H,27,30)
InChIKey DWQHOGGAVQUPNJ-UHFFFAOYSA-N
Mol Weight 493.97 g/mol
Molecular Formula C25H20ClN3O4S
Exact Mass 493.086305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xcEOWRTvZ8
Name 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl]-N-(4-chlorophenyl)ethanamide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20ClN3O4S
InChI InChI=1S/C25H20ClN3O4S/c26-17-7-9-18(10-8-17)27-23(30)13-20-24(31)29(19-4-2-1-3-5-19)25(34)28(20)14-16-6-11-21-22(12-16)33-15-32-21/h1-12,20H,13-15H2,(H,27,30)
InChIKey DWQHOGGAVQUPNJ-UHFFFAOYSA-N
Molecular Weight 493.965 g/mol
SMILES N(C(CC1N(C(N(C1=O)c1ccccc1)=S)Cc1cc2OCOc2cc1)=O)c1ccc(cc1)Cl
SPLASH splash10-000i-4900000000-7d1296c03818246d2ceb
Synonyms 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinyl]-N-(4-chlorophenyl)acetamide 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide 2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl]-N-(4-chlorophenyl)acetamide N-(4-chlorophenyl)-2-(5-keto-1-phenyl-3-piperonyl-2-thioxo-imidazolidin-4-yl)acetamide
Wiley ID 1444976