(sp)-N-[3,5-bis(Trifluoromethyl)phenyl]-N'-{12-(3,5-dihydroxyphenyl)[2.2]paracyclophan-4-yl}thiourea

SpectraBase Compound ID	1c5nt3kviJr
InChI	InChI=1S/C31H24F6N2O2S/c32-30(33,34)22-13-23(31(35,36)37)15-24(14-22)38-29(42)39-28-10-18-2-6-19-5-1-17(3-7-20(28)8-4-18)9-27(19)21-11-25(40)16-26(41)12-21/h1,4-5,8-16,40-41H,2-3,6-7H2,(H2,38,39,42)
InChIKey	SRVAZAYYHJJTQL-UHFFFAOYSA-N Google Search
Mol Weight	602.6 g/mol
Molecular Formula	C31H24F6N2O2S
Exact Mass	602.146268 g/mol

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SpectraBase Spectrum ID	2TQmEP7sCNI
Name	(sp)-N-[3,5-bis(Trifluoromethyl)phenyl]-N'-{12-(3,5-dihydroxyphenyl)[2.2]paracyclophan-4-yl}thiourea
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	602.146268171 u
Formula	C31H24F6N2O2S
InChI	InChI=1S/C31H24F6N2O2S/c32-30(33,34)22-13-23(31(35,36)37)15-24(14-22)38-29(42)39-28-10-18-2-6-19-5-1-17(3-7-20(28)8-4-18)9-27(19)21-11-25(40)16-26(41)12-21/h1,4-5,8-16,40-41H,2-3,6-7H2,(H2,38,39,42)
InChIKey	SRVAZAYYHJJTQL-UHFFFAOYSA-N
Molecular Weight	602.595 g/mol
SMILES	C(C1=CC(C(F)(F)F)=CC(=C1)NC(NC=1C2=CC=C(C1)CCC=1C(C3=CC(O)=CC(=C3)O)=CC(CC2)=CC1)=S)(F)(F)F