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N-{2-[(2-oxopropyl)sulfanyl]-1,3-benzothiazol-6-yl}-1-naphthamide

View entire compound with spectra: 2 NMR

N-{2-[(2-oxopropyl)sulfanyl]-1,3-benzothiazol-6-yl}-1-naphthamide
SpectraBase Compound ID 8PzKgjL3YYH
InChI InChI=1S/C21H16N2O2S2/c1-13(24)12-26-21-23-18-10-9-15(11-19(18)27-21)22-20(25)17-8-4-6-14-5-2-3-7-16(14)17/h2-11H,12H2,1H3,(H,22,25)
InChIKey AGYLABIWRINXBD-UHFFFAOYSA-N
Mol Weight 392.49 g/mol
Molecular Formula C21H16N2O2S2
Exact Mass 392.06532 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LUd8p2gsdj0
Name N-{2-[(2-Oxopropyl)sulfanyl]-1,3-benzothiazol-6-yl}-1-naphthamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.065320109 u
Formula C21H16N2O2S2
InChI InChI=1S/C21H16N2O2S2/c1-13(24)12-26-21-23-18-10-9-15(11-19(18)27-21)22-20(25)17-8-4-6-14-5-2-3-7-16(14)17/h2-11H,12H2,1H3,(H,22,25)
InChIKey AGYLABIWRINXBD-UHFFFAOYSA-N
Molecular Weight 392.491 g/mol
SMILES N(C(C1=C2C(C=CC=C2)=CC=C1)=O)C=1C=C2SC(=NC2=CC1)SCC(=O)C