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2-BENZYL-5-BENZYLCARBAMOYLIMINO-4-PHENYL-1,2,4-THIADIAZOLIDIN-3-ONE
SpectraBase Compound ID 4jrzn4ilnn5
InChI InChI=1S/C23H20N4O2S/c28-21(24-16-18-10-4-1-5-11-18)25-22-27(20-14-8-3-9-15-20)23(29)26(30-22)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,24,28)/b25-22-
InChIKey QETMMGBBBSUUIU-LVWGJNHUSA-N
Mol Weight 416.5 g/mol
Molecular Formula C23H20N4O2S
Exact Mass 416.130697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dx0T9zPNPLx
Name (1Z)-1-[3-oxidanylidene-4-phenyl-2-(phenylmethyl)-1,2,4-thiadiazolidin-5-ylidene]-3-(phenylmethyl)urea
Alternate Name(s) (1Z)-1-[3-oxo-4-phenyl-2-(phenylmethyl)-1,2,4-thiadiazolidin-5-ylidene]-3-(phenylmethyl)urea (3Z)-1-benzyl-3-(2-benzyl-3-keto-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea (3Z)-1-benzyl-3-(2-benzyl-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea
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Formula C23H20N4O2S
InChI InChI=1S/C23H20N4O2S/c28-21(24-16-18-10-4-1-5-11-18)25-22-27(20-14-8-3-9-15-20)23(29)26(30-22)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,24,28)/b25-22-
InChIKey QETMMGBBBSUUIU-LVWGJNHUSA-N
Molecular Weight 416.499 g/mol
SMILES N(C(\N=C\1N(C(=O)N(S1)Cc1ccccc1)c1ccccc1)=O)Cc1ccccc1
SPLASH splash10-000x-9510000000-2e236a8ec39cee89e3da
Source of Spectrum Y-28-1622-9
Wiley ID 1376342