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2-Benzyl-4-methyl-5-benzylcarbamoylimino-1,2,4-thiadiazolidin-3-one
SpectraBase Compound ID 2Afd5dRI9V0
InChI InChI=1S/C18H18N4O2S/c1-21-17(20-16(23)19-12-14-8-4-2-5-9-14)25-22(18(21)24)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,19,23)/b20-17+
InChIKey ORKYIKRFQALZEA-LVZFUZTISA-N
Mol Weight 354.43 g/mol
Molecular Formula C18H18N4O2S
Exact Mass 354.115047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13pCZtaugBn
Name 2-Benzyl-4-methyl-5-benzylcarbamoylimino-1,2,4-thiadiazolidin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N4O2S
InChI InChI=1S/C18H18N4O2S/c1-21-17(20-16(23)19-12-14-8-4-2-5-9-14)25-22(18(21)24)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,19,23)/b20-17+
InChIKey ORKYIKRFQALZEA-LVZFUZTISA-N
Molecular Weight 354.428 g/mol
SMILES N(C(\N=C/1N(C(=O)N(S1)Cc1ccccc1)C)=O)Cc1ccccc1
SPLASH splash10-052f-9821000000-452402b26976e499d436
Source of Spectrum Y-28-1622-9
Synonyms 2-Benzyl-5-benzylcarbamoylimino-4-methyl-1,2,4-thiadiazolidin-3-one N-benzyl-N'-[(5E)-2-benzyl-4-methyl-3-oxo-1,2,4-thiadiazolidin-5-ylidene]urea
Wiley ID 1344420