N-[[4-bromanyl-2-(phenylcarbonyl)phenyl]carbamothioyl]-4-(dimethylsulfamoyl)benzamide

Systemtic Name: N-[[4-bromanyl-2-(phenylcarbonyl)phenyl]carbamothioyl]-4-(dimethylsulfamoyl)benzamide Openeye Name: N-[(2-benzoyl-4-bromo-phenyl)carbamothioyl]-4-(dimethylsulfamoyl)benzamide CAS Name: N-[(2-benzoyl-4-bromoanilino)-sulfanylidenemethyl]-4-(dimethylsulfamoyl)benzamide IUPAC Name: N-[(2-benzoyl-4-bromophenyl)carbamothioyl]-4-(dimethylsulfamoyl)benzamide Traditional Name: N-[(2-benzoyl-4-bromo-phenyl)thiocarbamoyl]-4-(dimethylsulfamoyl)benzamide Formula: C23H20BrN3O4S2 MolecularWeight: 546.4566

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H20BrN3O4S2/c1-27(2)33(30,31)18-11-8-16(9-12-18)22(29)26-23(32)25-20-13-10-17(24)14-19(20)21(28)15-6-4-3-5-7-15/h3-14H,1-2H3,(H2,25,26,29,32)