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4-[p-(Piperidinosulfonyl)phenyl]-3-thio-1-(3,4,5-trimethoxybenzylidene)semicarbazide

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4-[p-(Piperidinosulfonyl)phenyl]-3-thio-1-(3,4,5-trimethoxybenzylidene)semicarbazide
SpectraBase Compound ID B24krlbVpQM
InChI InChI=1S/C22H28N4O5S2/c1-29-19-13-16(14-20(30-2)21(19)31-3)15-23-25-22(32)24-17-7-9-18(10-8-17)33(27,28)26-11-5-4-6-12-26/h7-10,13-15H,4-6,11-12H2,1-3H3,(H2,24,25,32)/b23-15+
InChIKey LVYIVTYIDMUNNR-HZHRSRAPSA-N
Mol Weight 492.61 g/mol
Molecular Formula C22H28N4O5S2
Exact Mass 492.150112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7XQB29w95D
Name 4-[p-(Piperidinosulfonyl)phenyl]-3-thio-1-(3,4,5-trimethoxybenzylidene)semicarbazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.150112361 u
Formula C22H28N4O5S2
InChI InChI=1S/C22H28N4O5S2/c1-29-19-13-16(14-20(30-2)21(19)31-3)15-23-25-22(32)24-17-7-9-18(10-8-17)33(27,28)26-11-5-4-6-12-26/h7-10,13-15H,4-6,11-12H2,1-3H3,(H2,24,25,32)/b23-15+
InChIKey LVYIVTYIDMUNNR-HZHRSRAPSA-N
Molecular Weight 492.609 g/mol
SMILES N(C1=CC=C(C=C1)S(N1CCCCC1)(=O)=O)C(=S)N\N=C\C=1C=C(C(=C(C1)OC)OC)OC