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Inherent Properties, Identifiers and References
ChemSpider ID: 2789978
Empirical Formula: C25H23Cl2N3O3S2
Molecular Weight: 548.5044
Nominal Mass: 547 Da
Average Mass: 548.5044 Da
Monoisotopic Mass: 547.055787 Da
Systematic Name: (NZ)-4-(benzyl-ethyl-sulfamoyl)-N-(4,7-dichloro-3-ethyl-1,3-benzo​thiazol-2-ylidene)benzamide
SMILES: O=S(=O)(N(Cc1ccccc1)CC)c2ccc(cc2)C(=O)/N=C4\Sc3c(Cl)ccc(Cl)c3N4CC Copy
InChI: InChI=1/C25H23Cl2N3O3S2/c1-3-29(16-17-8-6-5-7-9-17)35(32,33)19-12​-10-18(11-13-19)24(31)28-25-30(4-2)22-20(26)14-15-21(27)23(22)34-​25/h5-15H,3-4,16H2,1-2H3/b28-25- Copy
InChIKey: TWJNCCMMLNDAFH-FVDSYPCUBY
Std. InChI: Copy
Std. InChIKey: -
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Predicted Properties
SimBioSys LASSO