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2-[3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-methoxyphenyl)acetamide
SpectraBase Compound ID E20OJCnNCaB
InChI InChI=1S/C21H21N3O5S/c1-23-20(26)16(10-19(25)22-14-4-6-15(27-2)7-5-14)24(21(23)30)11-13-3-8-17-18(9-13)29-12-28-17/h3-9,16H,10-12H2,1-2H3,(H,22,25)
InChIKey UCYGVGOOEWLNOX-UHFFFAOYSA-N
Mol Weight 427.48 g/mol
Molecular Formula C21H21N3O5S
Exact Mass 427.120192 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ls6uNP3QSDd
Name 2-[3-(1,3-Benzodioxol-5-ylmethyl)-1-methyl-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-methoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.120191957 u
Formula C21H21N3O5S
InChI InChI=1S/C21H21N3O5S/c1-23-20(26)16(10-19(25)22-14-4-6-15(27-2)7-5-14)24(21(23)30)11-13-3-8-17-18(9-13)29-12-28-17/h3-9,16H,10-12H2,1-2H3,(H,22,25)
InChIKey UCYGVGOOEWLNOX-UHFFFAOYSA-N
Molecular Weight 427.475 g/mol
SMILES N(C(CC1C(N(C(N1CC=1C=C2OCOC2=CC1)=S)C)=O)=O)C=1C=CC(=CC1)OC