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5-Chloranyl-N-[[4-(ethanoylsulfamoyl)phenyl]carbamothioyl]-2-methoxy-benzamide

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5-Chloranyl-N-[[4-(ethanoylsulfamoyl)phenyl]carbamothioyl]-2-methoxy-benzamide
SpectraBase Compound ID GPFYy90JSMa
InChI InChI=1S/C17H16ClN3O5S2/c1-10(22)21-28(24,25)13-6-4-12(5-7-13)19-17(27)20-16(23)14-9-11(18)3-8-15(14)26-2/h3-9H,1-2H3,(H,21,22)(H2,19,20,23,27)
InChIKey JGIFACZMMNTNCE-UHFFFAOYSA-N
Mol Weight 441.9 g/mol
Molecular Formula C17H16ClN3O5S2
Exact Mass 441.021991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IvWhwtYJtDL
Name 5-Chloranyl-N-[[4-(ethanoylsulfamoyl)phenyl]carbamothioyl]-2-methoxy-benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.021990670 u
Formula C17H16ClN3O5S2
InChI InChI=1S/C17H16ClN3O5S2/c1-10(22)21-28(24,25)13-6-4-12(5-7-13)19-17(27)20-16(23)14-9-11(18)3-8-15(14)26-2/h3-9H,1-2H3,(H,21,22)(H2,19,20,23,27)
InChIKey JGIFACZMMNTNCE-UHFFFAOYSA-N
Molecular Weight 441.904 g/mol
SMILES COC1=C(C(NC(NC=2C=CC(S(NC(=O)C)(=O)=O)=CC2)=S)=O)C=C(C=C1)Cl