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4-methoxy-N-(3-{(1E)-N-[(5-methyl-2-thienyl)carbonyl]ethanehydrazonoyl}phenyl)benzamide
SpectraBase Compound ID 5ghL2jAm19a
InChI InChI=1S/C22H21N3O3S/c1-14-7-12-20(29-14)22(27)25-24-15(2)17-5-4-6-18(13-17)23-21(26)16-8-10-19(28-3)11-9-16/h4-13H,1-3H3,(H,23,26)(H,25,27)/b24-15+
InChIKey AMZNZJUGMBZYGH-BUVRLJJBSA-N
Mol Weight 407.49 g/mol
Molecular Formula C22H21N3O3S
Exact Mass 407.130363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IMBJlT41fnF
Name 4-Methoxy-N-(3-{(1E)-N-[(5-methyl-2-thienyl)carbonyl]ethanehydrazonoyl}phenyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 407.130362719 u
Formula C22H21N3O3S
InChI InChI=1S/C22H21N3O3S/c1-14-7-12-20(29-14)22(27)25-24-15(2)17-5-4-6-18(13-17)23-21(26)16-8-10-19(28-3)11-9-16/h4-13H,1-3H3,(H,23,26)(H,25,27)/b24-15+
InChIKey AMZNZJUGMBZYGH-BUVRLJJBSA-N
Molecular Weight 407.488 g/mol
SMILES N(\N=C\(C=1C=C(NC(C=2C=CC(=CC2)OC)=O)C=CC1)C)C(C=1SC(C)=CC1)=O