N'-(3,4-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thiourea

SpectraBase Compound ID	McJsWgFGGt
InChI	InChI=1S/C27H25Cl2N3O3S/c1-17-7-10-20(11-8-17)32-25(33)16-23(26(32)34)31(14-13-18-5-3-4-6-24(18)35-2)27(36)30-19-9-12-21(28)22(29)15-19/h3-12,15,23H,13-14,16H2,1-2H3,(H,30,36)
InChIKey	HKIXCBSJVLIYBB-UHFFFAOYSA-N Google Search
Mol Weight	542.48 g/mol
Molecular Formula	C27H25Cl2N3O3S
Exact Mass	541.099368 g/mol

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SpectraBase Spectrum ID	HrZAccdEK9p
Name	N'-(3,4-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thiourea
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/C27H25Cl2N3O3S/c1-17-7-10-20(11-8-17)32-25(33)16-23(26(32)34)31(14-13-18-5-3-4-6-24(18)35-2)27(36)30-19-9-12-21(28)22(29)15-19/h3-12,15,23H,13-14,16H2,1-2H3,(H,30,36)
InChIKey	HKIXCBSJVLIYBB-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_1428
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: 9311584; UBI_ID: UBI-001429
Temperature	308 °C