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

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N-allyl-N'-(4-chlorophenyl)-N-[1-(4-ethylphenyl)-2,5-dioxo-3-pyrrolidinyl]thiourea
SpectraBase Compound ID A73BhKmtUsU
InChI InChI=1S/C22H22ClN3O2S/c1-3-13-25(22(29)24-17-9-7-16(23)8-10-17)19-14-20(27)26(21(19)28)18-11-5-15(4-2)6-12-18/h3,5-12,19H,1,4,13-14H2,2H3,(H,24,29)
InChIKey FJPSBQRLGHAQKI-UHFFFAOYSA-N
Mol Weight 427.95 g/mol
Molecular Formula C22H22ClN3O2S
Exact Mass 427.112126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2JnuH7VRdUw
Name N-Allyl-N'-(4-chlorophenyl)-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 427.112125832 u
Formula C22H22ClN3O2S
InChI InChI=1S/C22H22ClN3O2S/c1-3-13-25(22(29)24-17-9-7-16(23)8-10-17)19-14-20(27)26(21(19)28)18-11-5-15(4-2)6-12-18/h3,5-12,19H,1,4,13-14H2,2H3,(H,24,29)
InChIKey FJPSBQRLGHAQKI-UHFFFAOYSA-N
Molecular Weight 427.950 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)Cl