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acetamide, N-[2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-6-benzothiazolyl]-2-[(6-ethoxy-2-benzothiazolyl)thio]-
SpectraBase Compound ID 3digAYdSCrs
InChI InChI=1S/C26H20ClN3O3S4/c1-2-33-18-8-10-20-23(12-18)37-26(30-20)35-14-24(32)28-17-7-9-19-22(11-17)36-25(29-19)34-13-21(31)15-3-5-16(27)6-4-15/h3-12H,2,13-14H2,1H3,(H,28,32)
InChIKey HAAWLJBXBNSPQF-UHFFFAOYSA-N
Mol Weight 586.2 g/mol
Molecular Formula C26H20ClN3O3S4
Exact Mass 585.007604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KAUzBW1mrsK
Name Acetamide, N-[2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-6-benzothiazolyl]-2-[(6-ethoxy-2-benzothiazolyl)thio]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 585.007603909 u
Formula C26H20ClN3O3S4
InChI InChI=1S/C26H20ClN3O3S4/c1-2-33-18-8-10-20-23(12-18)37-26(30-20)35-14-24(32)28-17-7-9-19-22(11-17)36-25(29-19)34-13-21(31)15-3-5-16(27)6-4-15/h3-12H,2,13-14H2,1H3,(H,28,32)
InChIKey HAAWLJBXBNSPQF-UHFFFAOYSA-N
Molecular Weight 586.157 g/mol
SMILES N(C(=O)CSC1=NC=2C=CC(=CC2S1)OCC)C1=CC=2SC(=NC2C=C1)SCC(C1=CC=C(C=C1)Cl)=O