3-bromanyl-4-tert-butyl-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[[4-(diethylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[[4-(diethylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C22H28BrN3O3S2 MolecularWeight: 526.51002

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)C(C)(C)C)Br

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)C(C)(C)C)Br

InChI

InChI=1S/C22H28BrN3O3S2/c1-6-26(7-2)31(28,29)17-11-9-16(10-12-17)24-21(30)25-20(27)15-8-13-18(19(23)14-15)22(3,4)5/h8-14H,6-7H2,1-5H3,(H2,24,25,27,30)