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4-Chloranyl-N-[5-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzamide

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4-Chloranyl-N-[5-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzamide
SpectraBase Compound ID GQJx1WvY8c8
InChI InChI=1S/C22H23ClN4O4S/c1-3-26-21(30)18(13-19(28)24-16-9-11-17(12-10-16)31-4-2)27(22(26)32)25-20(29)14-5-7-15(23)8-6-14/h5-12,18H,3-4,13H2,1-2H3,(H,24,28)(H,25,29)
InChIKey UCRMUCRRFIYZTR-UHFFFAOYSA-N
Mol Weight 474.96 g/mol
Molecular Formula C22H23ClN4O4S
Exact Mass 474.112854 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BXiR08B3Xl2
Name 4-Chloranyl-N-[5-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.112854107 u
Formula C22H23ClN4O4S
InChI InChI=1S/C22H23ClN4O4S/c1-3-26-21(30)18(13-19(28)24-16-9-11-17(12-10-16)31-4-2)27(22(26)32)25-20(29)14-5-7-15(23)8-6-14/h5-12,18H,3-4,13H2,1-2H3,(H,24,28)(H,25,29)
InChIKey UCRMUCRRFIYZTR-UHFFFAOYSA-N
Molecular Weight 474.963 g/mol
SMILES CCOC1=CC=C(NC(CC2N(C(N(CC)C2=O)=S)NC(C=2C=CC(=CC2)Cl)=O)=O)C=C1