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2-{3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-chlorophenyl)acetamide

View entire compound with spectra: 2 NMR

2-{3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-chlorophenyl)acetamide
SpectraBase Compound ID Ez3Z9p9LDkP
InChI InChI=1S/C31H32ClN3O6S/c1-3-38-25-11-5-20(15-27(25)39-4-2)13-14-34-30(37)24(17-29(36)33-23-9-7-22(32)8-10-23)35(31(34)42)18-21-6-12-26-28(16-21)41-19-40-26/h5-12,15-16,24H,3-4,13-14,17-19H2,1-2H3,(H,33,36)
InChIKey XYSUFADOIQCTMK-UHFFFAOYSA-N
Mol Weight 610.1 g/mol
Molecular Formula C31H32ClN3O6S
Exact Mass 609.170035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3RKjqwcQCqu
Name 2-{3-(1,3-Benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-chlorophenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 609.170034630 u
Formula C31H32ClN3O6S
InChI InChI=1S/C31H32ClN3O6S/c1-3-38-25-11-5-20(15-27(25)39-4-2)13-14-34-30(37)24(17-29(36)33-23-9-7-22(32)8-10-23)35(31(34)42)18-21-6-12-26-28(16-21)41-19-40-26/h5-12,15-16,24H,3-4,13-14,17-19H2,1-2H3,(H,33,36)
InChIKey XYSUFADOIQCTMK-UHFFFAOYSA-N
Molecular Weight 610.125 g/mol
SMILES N(C(CC1C(N(C(N1CC1=CC=2OCOC2C=C1)=S)CCC1=CC(OCC)=C(C=C1)OCC)=O)=O)C=1C=CC(=CC1)Cl