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2-methyl-N-[2-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

View entire compound with spectra: 2 NMR

2-methyl-N-[2-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
SpectraBase Compound ID AhEn49mnHta
InChI InChI=1S/C25H23N3O2S2/c1-16-8-6-7-11-20(16)24(30)27-19-12-13-21-22(14-19)32-25(28-21)31-15-23(29)26-17(2)18-9-4-3-5-10-18/h3-14,17H,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKey HVDCPSZTIDJXFL-UHFFFAOYSA-N
Mol Weight 461.6 g/mol
Molecular Formula C25H23N3O2S2
Exact Mass 461.123169 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aqo4pxBZanM
Name 2-Methyl-N-[2-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.123169339 u
Formula C25H23N3O2S2
InChI InChI=1S/C25H23N3O2S2/c1-16-8-6-7-11-20(16)24(30)27-19-12-13-21-22(14-19)32-25(28-21)31-15-23(29)26-17(2)18-9-4-3-5-10-18/h3-14,17H,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKey HVDCPSZTIDJXFL-UHFFFAOYSA-N
Molecular Weight 461.598 g/mol
SMILES N(C(C1=C(C)C=CC=C1)=O)C=1C=CC=2N=C(SCC(NC(C3=CC=CC=C3)C)=O)SC2C1