2-(4-bromanyl-2-chloranyl-phenoxy)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-chloranyl-phenoxy)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-chloro-phenoxy)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(4-bromo-2-chlorophenoxy)-N-[[4-(cyclohexylsulfamoyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-2-chlorophenoxy)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-chloro-phenoxy)-N-[[4-(cyclohexylsulfamoyl)phenyl]thiocarbamoyl]acetamide Formula: C21H23BrClN3O4S2 MolecularWeight: 560.91202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C21H23BrClN3O4S2/c22-14-6-11-19(18(23)12-14)30-13-20(27)25-21(31)24-15-7-9-17(10-8-15)32(28,29)26-16-4-2-1-3-5-16/h6-12,16,26H,1-5,13H2,(H2,24,25,27,31)