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1-[3-Benzyl-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]-ethan-1-oneN-Phenylsemicarbazone
SpectraBase Compound ID K0ub1GqBpDA
InChI InChI=1S/C25H22ClN5O2S/c1-17(28-29-24(33)27-20-10-6-3-7-11-20)22-23(32)31(21-14-12-19(26)13-15-21)25(34)30(22)16-18-8-4-2-5-9-18/h2-15,22H,16H2,1H3,(H2,27,29,33)/b28-17+
InChIKey XBTQMGVMIBRUFO-OGLMXYFKSA-N
Mol Weight 492.0 g/mol
Molecular Formula C25H22ClN5O2S
Exact Mass 491.118274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1w9pkrm2NM
Name 1-[3-Benzyl-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]-ethan-1-oneN-Phenylsemicarbazone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22ClN5O2S
InChI InChI=1S/C25H22ClN5O2S/c1-17(28-29-24(33)27-20-10-6-3-7-11-20)22-23(32)31(21-14-12-19(26)13-15-21)25(34)30(22)16-18-8-4-2-5-9-18/h2-15,22H,16H2,1H3,(H2,27,29,33)/b28-17+
InChIKey XBTQMGVMIBRUFO-OGLMXYFKSA-N
Literature Reference DOI 10.1021/jo2021949
Molecular Weight 491.997 g/mol
SMILES N(\N=C/(C)C1N(C(=S)N(C1=O)c1ccc(cc1)Cl)Cc1ccccc1)C(Nc1ccccc1)=O
SPLASH splash10-014i-0910000000-bcc38e795c58e1b28810
Source of Spectrum J-77-1164-4d
Synonyms (E)-2-(1-(3-benzyl-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl)ethylidene)-N-phenylhydrazinecarboxamide 1-[(E)-1-[1-(4-chlorophenyl)-5-oxo-3-(phenylmethyl)-2-sulfanylidene-4-imidazolidinyl]ethylideneamino]-3-phenylurea 1-[(E)-1-[3-benzyl-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]ethylideneamino]-3-phenylurea 1-[(E)-1-[3-benzyl-1-(4-chlorophenyl)-5-oxo-2-thioxo-imidazolidin-4-yl]ethylideneamino]-3-phenyl-urea 1-[(E)-1-[1-(4-chlorophenyl)-5-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-yl]ethylideneamino]-3-phenyl-urea
Wiley ID 1744955