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3-[(Benzylamino)-(methylthio)methylene]-4-[(tert-butylthiocarbamoyl)-(dimethylamino)methylene]-1-phenylsuccinimide
SpectraBase Compound ID 4Qf3cNnmjui
InChI InChI=1S/C27H32N4O2S2/c1-27(2,3)29-23(34)22(30(4)5)20-21(24(35-6)28-17-18-13-9-7-10-14-18)26(33)31(25(20)32)19-15-11-8-12-16-19/h7-16,28H,17H2,1-6H3,(H,29,34)/b22-20-,24-21+
InChIKey VBNBSVCUBGAGBA-IFIHVNFVSA-N
Mol Weight 508.7 g/mol
Molecular Formula C27H32N4O2S2
Exact Mass 508.196669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6r8an19HvSE
Name 3-[(Benzylamino)-(methylthio)methylene]-4-[(tert-butylthiocarbamoyl)-(dimethylamino)methylene]-1-phenylsuccinimide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32N4O2S2
InChI InChI=1S/C27H32N4O2S2/c1-27(2,3)29-23(34)22(30(4)5)20-21(24(35-6)28-17-18-13-9-7-10-14-18)26(33)31(25(20)32)19-15-11-8-12-16-19/h7-16,28H,17H2,1-6H3,(H,29,34)/b22-20-,24-21+
InChIKey VBNBSVCUBGAGBA-IFIHVNFVSA-N
Molecular Weight 508.699 g/mol
SMILES N(\C(=C\1\C(=C/(C(NC(C)(C)C)=S)N(C)C)C(N(C1=O)c1ccccc1)=O)SC)Cc1ccccc1
SPLASH splash10-0udi-0009000000-11f63f8fe3efee491a7b
Source of Spectrum F-51-7032-19
Synonyms (2Z)-2-{(4E)-4-[(benzylamino)(methylsulfanyl)methylene]-2,5-dioxo-1-phenylpyrrolidinylidene}-N-(tert-butyl)-2-(dimethylamino)ethanethioamide
Wiley ID 792387