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2-[3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]-N-(4-fluorophenyl)ethanamide
SpectraBase Compound ID 4QfmCcw1r7B
InChI InChI=1S/C20H18FN3O4S/c1-23-19(26)15(9-18(25)22-14-5-3-13(21)4-6-14)24(20(23)29)10-12-2-7-16-17(8-12)28-11-27-16/h2-8,15H,9-11H2,1H3,(H,22,25)
InChIKey NISJYTXTLTXIQE-UHFFFAOYSA-N
Mol Weight 415.44 g/mol
Molecular Formula C20H18FN3O4S
Exact Mass 415.100205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FR6XK0Qttz9
Name 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]-N-(4-fluorophenyl)ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18FN3O4S
InChI InChI=1S/C20H18FN3O4S/c1-23-19(26)15(9-18(25)22-14-5-3-13(21)4-6-14)24(20(23)29)10-12-2-7-16-17(8-12)28-11-27-16/h2-8,15H,9-11H2,1H3,(H,22,25)
InChIKey NISJYTXTLTXIQE-UHFFFAOYSA-N
Molecular Weight 415.439 g/mol
SMILES N(C(CC1C(N(C(N1Cc1cc2OCOc2cc1)=S)C)=O)=O)c1ccc(cc1)F
SPLASH splash10-000i-9800100000-ddabe44e72b894e7d9d8
Synonyms 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-oxo-2-sulfanylidene-4-imidazolidinyl]-N-(4-fluorophenyl)acetamide 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide N-(4-fluorophenyl)-2-(5-keto-1-methyl-3-piperonyl-2-thioxo-imidazolidin-4-yl)acetamide
Wiley ID 1444959