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N-allyl-N-[1-(4-ethylphenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-(4-methoxyphenyl)thiourea

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N-allyl-N-[1-(4-ethylphenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-(4-methoxyphenyl)thiourea
SpectraBase Compound ID FrFuHMl9W4C
InChI InChI=1S/C23H25N3O3S/c1-4-14-25(23(30)24-17-8-12-19(29-3)13-9-17)20-15-21(27)26(22(20)28)18-10-6-16(5-2)7-11-18/h4,6-13,20H,1,5,14-15H2,2-3H3,(H,24,30)
InChIKey FJRYPXTUUNPZGH-UHFFFAOYSA-N
Mol Weight 423.53 g/mol
Molecular Formula C23H25N3O3S
Exact Mass 423.161663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BcIOnOXEGKJ
Name N-Allyl-N-[1-(4-ethylphenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-(4-methoxyphenyl)thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.161662848 u
Formula C23H25N3O3S
InChI InChI=1S/C23H25N3O3S/c1-4-14-25(23(30)24-17-8-12-19(29-3)13-9-17)20-15-21(27)26(22(20)28)18-10-6-16(5-2)7-11-18/h4,6-13,20H,1,5,14-15H2,2-3H3,(H,24,30)
InChIKey FJRYPXTUUNPZGH-UHFFFAOYSA-N
Molecular Weight 423.531 g/mol
SMILES N(C(N(C1C(N(C(C1)=O)C1=CC=C(C=C1)CC)=O)CC=C)=S)C1=CC=C(C=C1)OC