dl-N,N',N''-(methylidenetri-4,1-phenylene)tris[2-phenyl-2-[(thiobenzoyl)thio]acetamide]

SpectraBase Compound ID	83huLXqAwbN
InChI	InChI=1S/C64H49N3O3S6/c68-59(56(46-19-7-1-8-20-46)74-62(71)49-25-13-4-14-26-49)65-52-37-31-43(32-38-52)55(44-33-39-53(40-34-44)66-60(69)57(47-21-9-2-10-22-47)75-63(72)50-27-15-5-16-28-50)45-35-41-54(42-36-45)67-61(70)58(48-23-11-3-12-24-48)76-64(73)51-29-17-6-18-30-51/h1-42,55-58H,(H,65,68)(H,66,69)(H,67,70)
InChIKey	MBYPXFFKNOKXQB-UHFFFAOYSA-N Google Search
Mol Weight	1100.5 g/mol
Molecular Formula	C64H49N3O3S6
Exact Mass	1099.209819 g/mol

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SpectraBase Spectrum ID	2EaNpMpFbOH
Name	dl-N,N',N''-(methylidenetri-4,1-phenylene)tris[2-phenyl-2-[(thiobenzoyl)thio]acetamide]
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	1099.209819491 u
Formula	C64H49N3O3S6
InChI	InChI=1S/C64H49N3O3S6/c68-59(56(46-19-7-1-8-20-46)74-62(71)49-25-13-4-14-26-49)65-52-37-31-43(32-38-52)55(44-33-39-53(40-34-44)66-60(69)57(47-21-9-2-10-22-47)75-63(72)50-27-15-5-16-28-50)45-35-41-54(42-36-45)67-61(70)58(48-23-11-3-12-24-48)76-64(73)51-29-17-6-18-30-51/h1-42,55-58H,(H,65,68)(H,66,69)(H,67,70)
InChIKey	MBYPXFFKNOKXQB-UHFFFAOYSA-N
Molecular Weight	1100.474 g/mol
SMILES	C=1(C=CC(NC(=O)C(C2=CC=CC=C2)SC(=S)C=2C=CC=CC2)=CC1)C(C=1C=CC(NC(=O)C(C2=CC=CC=C2)SC(=S)C=2C=CC=CC2)=CC1)C=1C=CC(NC(=O)C(C2=CC=CC=C2)SC(=S)C=2C=CC=CC2)=CC1