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4,4'-(1,4-phenylenebis(azanediyl))bis(thioxomethylene)bis(azanediyl)bis(N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide)
SpectraBase Compound ID I6ga9OJXGVt
InChI InChI=1S/C30H30N8O6S4/c1-17-19(3)35-43-27(17)37-47(39,40)25-13-9-23(10-14-25)33-29(45)31-21-5-7-22(8-6-21)32-30(46)34-24-11-15-26(16-12-24)48(41,42)38-28-18(2)20(4)36-44-28/h5-16,37-38H,1-4H3,(H2,31,33,45)(H2,32,34,46)
InChIKey MXKWBDQMOUFVNQ-UHFFFAOYSA-N
Mol Weight 726.9 g/mol
Molecular Formula C30H30N8O6S4
Exact Mass 726.117115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tZv6gRHKNc
Name 4,4'-(1,4-phenylenebis(azanediyl))bis(thioxomethylene)bis(azanediyl)bis(N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide)
Alternate Name(s) N-(3,4-dimethylisoxazol-5-yl)-4-(3-(4-(3-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)thioureido)phenyl)thioureido)benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H30N8O6S4
InChI InChI=1S/C30H30N8O6S4/c1-17-19(3)35-43-27(17)37-47(39,40)25-13-9-23(10-14-25)33-29(45)31-21-5-7-22(8-6-21)32-30(46)34-24-11-15-26(16-12-24)48(41,42)38-28-18(2)20(4)36-44-28/h5-16,37-38H,1-4H3,(H2,31,33,45)(H2,32,34,46)
InChIKey MXKWBDQMOUFVNQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200200064
Molecular Weight 726.860 g/mol
SMILES N(c1ccc(cc1)NC(Nc1ccc(S(Nc2onc(c2C)C)(=O)=O)cc1)=S)C(Nc1ccc(S(Nc2c(c(no2)C)C)(=O)=O)cc1)=S
SPLASH splash10-0uxr-0970000000-d6703c7006085375bbb7
Source of Spectrum QA-49-411-4
Wiley ID 1795632