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N-{4-[(1E)-N-(1-benzothien-3-ylcarbonyl)ethanehydrazonoyl]phenyl}-2-(4-chloro-2-methylphenoxy)acetamide

View entire compound with spectra: 2 NMR

N-{4-[(1E)-N-(1-benzothien-3-ylcarbonyl)ethanehydrazonoyl]phenyl}-2-(4-chloro-2-methylphenoxy)acetamide
SpectraBase Compound ID 8yR86caC7hh
InChI InChI=1S/C26H22ClN3O3S/c1-16-13-19(27)9-12-23(16)33-14-25(31)28-20-10-7-18(8-11-20)17(2)29-30-26(32)22-15-34-24-6-4-3-5-21(22)24/h3-13,15H,14H2,1-2H3,(H,28,31)(H,30,32)/b29-17+
InChIKey AOKPQJLOMQHFPQ-STBIYBPSSA-N
Mol Weight 491.99 g/mol
Molecular Formula C26H22ClN3O3S
Exact Mass 491.10704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID nJzpBpmBgn
Name N-{4-[(1E)-N-(1-Benzothien-3-ylcarbonyl)ethanehydrazonoyl]phenyl}-2-(4-chloro-2-methylphenoxy)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 491.107040451 u
Formula C26H22ClN3O3S
InChI InChI=1S/C26H22ClN3O3S/c1-16-13-19(27)9-12-23(16)33-14-25(31)28-20-10-7-18(8-11-20)17(2)29-30-26(32)22-15-34-24-6-4-3-5-21(22)24/h3-13,15H,14H2,1-2H3,(H,28,31)(H,30,32)/b29-17+
InChIKey AOKPQJLOMQHFPQ-STBIYBPSSA-N
Molecular Weight 491.993 g/mol
SMILES N(\N=C\(C1=CC=C(NC(=O)COC2=C(C=C(C=C2)Cl)C)C=C1)C)C(C1=CSC2=C1C=CC=C2)=O