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

View entire compound with spectra: 2 NMR

N-allyl-N'-(2,5-dimethylphenyl)-N-[1-(4-ethylphenyl)-2,5-dioxo-3-pyrrolidinyl]thiourea
SpectraBase Compound ID 9tAXOsVm9LG
InChI InChI=1S/C24H27N3O2S/c1-5-13-26(24(30)25-20-14-16(3)7-8-17(20)4)21-15-22(28)27(23(21)29)19-11-9-18(6-2)10-12-19/h5,7-12,14,21H,1,6,13,15H2,2-4H3,(H,25,30)
InChIKey URPCLAQHASTGLL-UHFFFAOYSA-N
Mol Weight 421.56 g/mol
Molecular Formula C24H27N3O2S
Exact Mass 421.182398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jc8Vu1VA6Ah
Name N-Allyl-N'-(2,5-dimethylphenyl)-N-[1-(4-ethylphenyl)-2,5-dioxo-3-pyrrolidinyl]thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.182398293 u
Formula C24H27N3O2S
InChI InChI=1S/C24H27N3O2S/c1-5-13-26(24(30)25-20-14-16(3)7-8-17(20)4)21-15-22(28)27(23(21)29)19-11-9-18(6-2)10-12-19/h5,7-12,14,21H,1,6,13,15H2,2-4H3,(H,25,30)
InChIKey URPCLAQHASTGLL-UHFFFAOYSA-N
Molecular Weight 421.559 g/mol
SMILES N(C(N(C1C(N(C(C1)=O)C=1C=CC(=CC1)CC)=O)CC=C)=S)C1=C(C=CC(=C1)C)C