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2-[1-benzyl-3-(4-methoxybenzyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-methoxyphenyl)acetamide
SpectraBase Compound ID 4zBg3bHcD1p
InChI InChI=1S/C27H27N3O4S/c1-33-22-12-8-20(9-13-22)17-29-24(16-25(31)28-21-10-14-23(34-2)15-11-21)26(32)30(27(29)35)18-19-6-4-3-5-7-19/h3-15,24H,16-18H2,1-2H3,(H,28,31)
InChIKey TXWUDGQMWRWINR-UHFFFAOYSA-N
Mol Weight 489.59 g/mol
Molecular Formula C27H27N3O4S
Exact Mass 489.172228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 46rMVPh6trl
Name 2-[1-Benzyl-3-(4-methoxybenzyl)-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 489.172227531 u
Formula C27H27N3O4S
InChI InChI=1S/C27H27N3O4S/c1-33-22-12-8-20(9-13-22)17-29-24(16-25(31)28-21-10-14-23(34-2)15-11-21)26(32)30(27(29)35)18-19-6-4-3-5-7-19/h3-15,24H,16-18H2,1-2H3,(H,28,31)
InChIKey TXWUDGQMWRWINR-UHFFFAOYSA-N
Molecular Weight 489.590 g/mol
SMILES N(C(CC1C(N(C(N1CC1=CC=C(C=C1)OC)=S)CC1=CC=CC=C1)=O)=O)C1=CC=C(C=C1)OC