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

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N-allyl-N-[1-(4-ethylphenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-(4-methylphenyl)thiourea
SpectraBase Compound ID D6hc9KtojPU
InChI InChI=1S/C23H25N3O2S/c1-4-14-25(23(29)24-18-10-6-16(3)7-11-18)20-15-21(27)26(22(20)28)19-12-8-17(5-2)9-13-19/h4,6-13,20H,1,5,14-15H2,2-3H3,(H,24,29)
InChIKey VMAKPQDAQDDSQC-UHFFFAOYSA-N
Mol Weight 407.53 g/mol
Molecular Formula C23H25N3O2S
Exact Mass 407.166748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8u81CJPbuDz
Name N-Allyl-N-[1-(4-ethylphenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-(4-methylphenyl)thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.166748229 u
Formula C23H25N3O2S
InChI InChI=1S/C23H25N3O2S/c1-4-14-25(23(29)24-18-10-6-16(3)7-11-18)20-15-21(27)26(22(20)28)19-12-8-17(5-2)9-13-19/h4,6-13,20H,1,5,14-15H2,2-3H3,(H,24,29)
InChIKey VMAKPQDAQDDSQC-UHFFFAOYSA-N
Molecular Weight 407.532 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)C