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N'-(2,6-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thiourea

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N'-(2,6-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thiourea
SpectraBase Compound ID IRJLUJ3rtRW
InChI InChI=1S/C29H31N3O3S/c1-19-12-14-23(15-13-19)32-26(33)18-24(28(32)34)31(17-16-22-10-5-6-11-25(22)35-4)29(36)30-27-20(2)8-7-9-21(27)3/h5-15,24H,16-18H2,1-4H3,(H,30,36)
InChIKey OWUCDVIMXHLIIZ-UHFFFAOYSA-N
Mol Weight 501.65 g/mol
Molecular Formula C29H31N3O3S
Exact Mass 501.208613 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59sbIOTTkyW
Name N'-(2,6-Dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.208613041 u
Formula C29H31N3O3S
InChI InChI=1S/C29H31N3O3S/c1-19-12-14-23(15-13-19)32-26(33)18-24(28(32)34)31(17-16-22-10-5-6-11-25(22)35-4)29(36)30-27-20(2)8-7-9-21(27)3/h5-15,24H,16-18H2,1-4H3,(H,30,36)
InChIKey OWUCDVIMXHLIIZ-UHFFFAOYSA-N
Molecular Weight 501.645 g/mol
SMILES N(C(N(C1C(N(C(C1)=O)C1=CC=C(C=C1)C)=O)CCC1=C(OC)C=CC=C1)=S)C1=C(C=CC=C1C)C