2,2'-Bis[N-(4-methoxyphenyl)thioureido-N'-yl]biphenyl

SpectraBase Compound ID	GJtn8xYil2N
InChI	InChI=1S/C28H26N4O2S2/c1-33-21-15-11-19(12-16-21)29-27(35)31-25-9-5-3-7-23(25)24-8-4-6-10-26(24)32-28(36)30-20-13-17-22(34-2)18-14-20/h3-18H,1-2H3,(H2,29,31,35)(H2,30,32,36)
InChIKey	IZJUVUVXGVGHKY-UHFFFAOYSA-N Google Search
Mol Weight	514.66 g/mol
Molecular Formula	C28H26N4O2S2
Exact Mass	514.149718 g/mol

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SpectraBase Spectrum ID	IaerXVlQdwl
Name	2,2'-Bis[N-(4-methoxyphenyl)thioureido-N'-yl]biphenyl
Alternate Name(s)	2,2'-bis{[(4-methoxyanilino)carbothioyl]amino}-1,1'-biphenyl N-(2'-{[(4-methoxyanilino)carbothioyl]amino}[1,1'-biphenyl]-2-yl)-N'-(4-methoxyphenyl)thiourea 1-[2-[2-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]phenyl]-3-(4-methoxyphenyl)thiourea 1-(4-methoxyphenyl)-3-[2-[2-[(4-methoxyphenyl)carbamothioylamino]phenyl]phenyl]thiourea
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H26N4O2S2
InChI	InChI=1S/C28H26N4O2S2/c1-33-21-15-11-19(12-16-21)29-27(35)31-25-9-5-3-7-23(25)24-8-4-6-10-26(24)32-28(36)30-20-13-17-22(34-2)18-14-20/h3-18H,1-2H3,(H2,29,31,35)(H2,30,32,36)
InChIKey	IZJUVUVXGVGHKY-UHFFFAOYSA-N
Molecular Weight	514.662 g/mol
SMILES	N(C(Nc1ccc(cc1)OC)=S)c1c(-c2c(NC(Nc3ccc(cc3)OC)=S)cccc2)cccc1
SPLASH	splash10-0a4i-0900000000-88e79dcb01b7cd40acf0
Source of Spectrum	J-64-1128-7
Wiley ID	1529346