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N-(4-chlorobenzyl)-N-[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-methylthiourea

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N-(4-chlorobenzyl)-N-[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-methylthiourea
SpectraBase Compound ID JbcMFsWs4bb
InChI InChI=1S/C19H17Cl2N3O2S/c1-22-19(27)23(11-12-2-4-13(20)5-3-12)16-10-17(25)24(18(16)26)15-8-6-14(21)7-9-15/h2-9,16H,10-11H2,1H3,(H,22,27)
InChIKey BGMORGDLNGSYBU-UHFFFAOYSA-N
Mol Weight 422.33 g/mol
Molecular Formula C19H17Cl2N3O2S
Exact Mass 421.041853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2pMFzjyHX8p
Name N-(4-Chlorobenzyl)-N-[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-methylthiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.041853371 u
Formula C19H17Cl2N3O2S
InChI InChI=1S/C19H17Cl2N3O2S/c1-22-19(27)23(11-12-2-4-13(20)5-3-12)16-10-17(25)24(18(16)26)15-8-6-14(21)7-9-15/h2-9,16H,10-11H2,1H3,(H,22,27)
InChIKey BGMORGDLNGSYBU-UHFFFAOYSA-N
Molecular Weight 422.330 g/mol
SMILES N(C(N(C1C(N(C(C1)=O)C=1C=CC(=CC1)Cl)=O)CC1=CC=C(C=C1)Cl)=S)C