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

View entire compound with spectra: 2 NMR

N-allyl-N'-(3,4-dichlorophenyl)-N-[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thiourea
SpectraBase Compound ID FSZpioDNA2r
InChI InChI=1S/C21H19Cl2N3O2S/c1-3-10-25(21(29)24-14-6-9-16(22)17(23)11-14)18-12-19(27)26(20(18)28)15-7-4-13(2)5-8-15/h3-9,11,18H,1,10,12H2,2H3,(H,24,29)
InChIKey KVVWORSJOOSZOD-UHFFFAOYSA-N
Mol Weight 448.37 g/mol
Molecular Formula C21H19Cl2N3O2S
Exact Mass 447.057503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CDcydgccHRS
Name N-Allyl-N'-(3,4-dichlorophenyl)-N-[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.057503436 u
Formula C21H19Cl2N3O2S
InChI InChI=1S/C21H19Cl2N3O2S/c1-3-10-25(21(29)24-14-6-9-16(22)17(23)11-14)18-12-19(27)26(20(18)28)15-7-4-13(2)5-8-15/h3-9,11,18H,1,10,12H2,2H3,(H,24,29)
InChIKey KVVWORSJOOSZOD-UHFFFAOYSA-N
Molecular Weight 448.368 g/mol
SMILES N(C(N(C1C(N(C(C1)=O)C1=CC=C(C=C1)C)=O)CC=C)=S)C=1C=C(Cl)C(=CC1)Cl