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N-[2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl]-N'-ethyl-N-(4-methoxybenzyl)thiourea

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N-[2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl]-N'-ethyl-N-(4-methoxybenzyl)thiourea
SpectraBase Compound ID 4cmiJAxdjZB
InChI InChI=1S/C24H29N3O4S/c1-4-14-31-20-12-8-18(9-13-20)27-22(28)15-21(23(27)29)26(24(32)25-5-2)16-17-6-10-19(30-3)11-7-17/h6-13,21H,4-5,14-16H2,1-3H3,(H,25,32)
InChIKey BWIWZUXJWQJMJL-UHFFFAOYSA-N
Mol Weight 455.57 g/mol
Molecular Formula C24H29N3O4S
Exact Mass 455.187878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G1g4hxsTdJK
Name N-[2,5-Dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl]-N'-ethyl-N-(4-methoxybenzyl)thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.187877596 u
Formula C24H29N3O4S
InChI InChI=1S/C24H29N3O4S/c1-4-14-31-20-12-8-18(9-13-20)27-22(28)15-21(23(27)29)26(24(32)25-5-2)16-17-6-10-19(30-3)11-7-17/h6-13,21H,4-5,14-16H2,1-3H3,(H,25,32)
InChIKey BWIWZUXJWQJMJL-UHFFFAOYSA-N
Molecular Weight 455.573 g/mol
SMILES N(C(N(C1C(N(C(C1)=O)C=1C=CC(=CC1)OCCC)=O)CC=1C=CC(=CC1)OC)=S)CC