N'-[(E)-1-(4-bromophenyl)ethylidene]-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetohydrazide

SpectraBase Compound ID	IxibgIPDB7W
InChI	InChI=1S/C27H25BrN4O2S2/c1-16-7-13-20(14-8-16)32-26(34)24-21-5-3-4-6-22(21)36-25(24)29-27(32)35-15-23(33)31-30-17(2)18-9-11-19(28)12-10-18/h7-14H,3-6,15H2,1-2H3,(H,31,33)/b30-17+
InChIKey	SIDJPCKBJBRXPC-OCSSWDANSA-N Google Search
Mol Weight	581.55 g/mol
Molecular Formula	C27H25BrN4O2S2
Exact Mass	580.060231 g/mol

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SpectraBase Spectrum ID	HukMDnkQkqV
Name	N'-[(E)-1-(4-bromophenyl)ethylidene]-2-{[3-(4-methylphenyl)-4-oxo-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/C27H25BrN4O2S2/c1-16-7-13-20(14-8-16)32-26(34)24-21-5-3-4-6-22(21)36-25(24)29-27(32)35-15-23(33)31-30-17(2)18-9-11-19(28)12-10-18/h7-14H,3-6,15H2,1-2H3,(H,31,33)/b30-17+
InChIKey	SIDJPCKBJBRXPC-OCSSWDANSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16671
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: D24233; Labnumber: GRES-02130; SBI_ID: SBI-016674
Synonyms	N'-[1-(4-bromophenyl)ethylidene]-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetohydrazide
Temperature	308 °C