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2-({4-[(4-{[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}phenyl)sulfanyl]phenyl}sulfanyl)-N-(5-chloro-2-methylphenyl)acetamide

View entire compound with spectra: 2 NMR

2-({4-[(4-{[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}phenyl)sulfanyl]phenyl}sulfanyl)-N-(5-chloro-2-methylphenyl)acetamide
SpectraBase Compound ID 41LquFEdo5q
InChI InChI=1S/C30H26Cl2N2O2S3/c1-19-3-5-21(31)15-27(19)33-29(35)17-37-23-7-11-25(12-8-23)39-26-13-9-24(10-14-26)38-18-30(36)34-28-16-22(32)6-4-20(28)2/h3-16H,17-18H2,1-2H3,(H,33,35)(H,34,36)
InChIKey LPRGOXGEKROWLO-UHFFFAOYSA-N
Mol Weight 613.64 g/mol
Molecular Formula C30H26Cl2N2O2S3
Exact Mass 612.053347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5f28aNOCySX
Name 2-({4-[(4-{[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanyl}phenyl)sulfanyl]phenyl}sulfanyl)-N-(5-chloro-2-methylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 612.053347005 u
Formula C30H26Cl2N2O2S3
InChI InChI=1S/C30H26Cl2N2O2S3/c1-19-3-5-21(31)15-27(19)33-29(35)17-37-23-7-11-25(12-8-23)39-26-13-9-24(10-14-26)38-18-30(36)34-28-16-22(32)6-4-20(28)2/h3-16H,17-18H2,1-2H3,(H,33,35)(H,34,36)
InChIKey LPRGOXGEKROWLO-UHFFFAOYSA-N
Molecular Weight 613.636 g/mol
SMILES N(C=1C=C(Cl)C=CC1C)C(CSC=1C=CC(SC=2C=CC(SCC(NC3=CC(Cl)=CC=C3C)=O)=CC2)=CC1)=O