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2-(3-isobutoxyphenyl)-N-{[2-(2-thienylcarbonyl)hydrazino]carbothioyl}-4-quinolinecarboxamide

View entire compound with spectra: 2 NMR

2-(3-isobutoxyphenyl)-N-{[2-(2-thienylcarbonyl)hydrazino]carbothioyl}-4-quinolinecarboxamide
SpectraBase Compound ID 7fMZDqfKkvg
InChI InChI=1S/C26H24N4O3S2/c1-16(2)15-33-18-8-5-7-17(13-18)22-14-20(19-9-3-4-10-21(19)27-22)24(31)28-26(34)30-29-25(32)23-11-6-12-35-23/h3-14,16H,15H2,1-2H3,(H,29,32)(H2,28,30,31,34)
InChIKey ZUKPFZAFVRQJHS-UHFFFAOYSA-N
Mol Weight 504.62 g/mol
Molecular Formula C26H24N4O3S2
Exact Mass 504.128983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CokvRHVQ8KA
Name 2-(3-Isobutoxyphenyl)-N-{[2-(2-thienylcarbonyl)hydrazino]carbothioyl}-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 504.128982994 u
Formula C26H24N4O3S2
InChI InChI=1S/C26H24N4O3S2/c1-16(2)15-33-18-8-5-7-17(13-18)22-14-20(19-9-3-4-10-21(19)27-22)24(31)28-26(34)30-29-25(32)23-11-6-12-35-23/h3-14,16H,15H2,1-2H3,(H,29,32)(H2,28,30,31,34)
InChIKey ZUKPFZAFVRQJHS-UHFFFAOYSA-N
Molecular Weight 504.623 g/mol
SMILES N(C(C=1C=C(C=2C=C(OCC(C)C)C=CC2)N=C2C1C=CC=C2)=O)C(NNC(C=1SC=CC1)=O)=S