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

SpectraBase Compound ID	HR3vKzyXlNW
InChI	InChI=1S/C28H28N4O4S2/c1-3-36-21-14-13-18(15-22(21)35-2)16-29-31-24(33)17-37-28-30-26-25(20-11-7-8-12-23(20)38-26)27(34)32(28)19-9-5-4-6-10-19/h4-6,9-10,13-16H,3,7-8,11-12,17H2,1-2H3,(H,31,33)/b29-16+
InChIKey	PBGYTWDKOIFMKJ-MUFRIFMGSA-N Google Search
Mol Weight	548.68 g/mol
Molecular Formula	C28H28N4O4S2
Exact Mass	548.155198 g/mol

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SpectraBase Spectrum ID	3QKxf1nlpna
Name	N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]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/C28H28N4O4S2/c1-3-36-21-14-13-18(15-22(21)35-2)16-29-31-24(33)17-37-28-30-26-25(20-11-7-8-12-23(20)38-26)27(34)32(28)19-9-5-4-6-10-19/h4-6,9-10,13-16H,3,7-8,11-12,17H2,1-2H3,(H,31,33)/b29-16+
InChIKey	PBGYTWDKOIFMKJ-MUFRIFMGSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16724
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: D24357; Labnumber: GRES-02335; SBI_ID: SBI-016727
Synonyms	N'-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide
Temperature	318 °C