2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N'-[(E)-(4-propoxyphenyl)methylidene]acetohydrazide

SpectraBase Compound ID	2aQ0GZhFelM
InChI	InChI=1S/C28H28N4O3S2/c1-2-16-35-21-14-12-19(13-15-21)17-29-31-24(33)18-36-28-30-26-25(22-10-6-7-11-23(22)37-26)27(34)32(28)20-8-4-3-5-9-20/h3-5,8-9,12-15,17H,2,6-7,10-11,16,18H2,1H3,(H,31,33)/b29-17+
InChIKey	IDFMXLHCZFGKRC-STBIYBPSSA-N Google Search
Mol Weight	532.68 g/mol
Molecular Formula	C28H28N4O3S2
Exact Mass	532.160283 g/mol

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SpectraBase Spectrum ID	3GWX1GMITYD
Name	2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N'-[(E)-(4-propoxyphenyl)methylidene]acetohydrazide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C28H28N4O3S2/c1-2-16-35-21-14-12-19(13-15-21)17-29-31-24(33)18-36-28-30-26-25(22-10-6-7-11-23(22)37-26)27(34)32(28)20-8-4-3-5-9-20/h3-5,8-9,12-15,17H,2,6-7,10-11,16,18H2,1H3,(H,31,33)/b29-17+
InChIKey	IDFMXLHCZFGKRC-STBIYBPSSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16728
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: D24363; Labnumber: GRES-02341; SBI_ID: SBI-016731
Synonyms	2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N'-[(4-propoxyphenyl)methylidene]acetohydrazide
Temperature	318 °C