(5E)-5-[(1-benzyl-1H-indol-3-yl)methylene]-1-(4-isopropylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

SpectraBase Compound ID	KSTLofWwCiI
InChI	InChI=1S/C29H25N3O2S/c1-19(2)21-12-14-23(15-13-21)32-28(34)25(27(33)30-29(32)35)16-22-18-31(17-20-8-4-3-5-9-20)26-11-7-6-10-24(22)26/h3-16,18-19H,17H2,1-2H3,(H,30,33,35)/b25-16+
InChIKey	PBHCRFVAIDZMMV-PCLIKHOPSA-N Google Search
Mol Weight	479.6 g/mol
Molecular Formula	C29H25N3O2S
Exact Mass	479.166748 g/mol

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SpectraBase Spectrum ID	Cudari1cybs
Name	(5E)-5-[(1-benzyl-1H-indol-3-yl)methylene]-1-(4-isopropylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C29H25N3O2S/c1-19(2)21-12-14-23(15-13-21)32-28(34)25(27(33)30-29(32)35)16-22-18-31(17-20-8-4-3-5-9-20)26-11-7-6-10-24(22)26/h3-16,18-19H,17H2,1-2H3,(H,30,33,35)/b25-16+
InChIKey	PBHCRFVAIDZMMV-PCLIKHOPSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_13571
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: D86239; Labnumber: KV-2469; SBI_ID: SBI-013574
Synonyms	5-[(1-benzyl-1H-indol-3-yl)methylene]-1-(4-isopropylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature	308 °C