3-bromanyl-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[4-(diethylsulfamoyl)anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[[4-(diethylsulfamoyl)phenyl]thiocarbamoyl]-4-isobutoxy-benzamide Formula: C22H28BrN3O4S2 MolecularWeight: 542.50942

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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)OCC(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrN3O4S2/c1-5-26(6-2)32(28,29)18-10-8-17(9-11-18)24-22(31)25-21(27)16-7-12-20(19(23)13-16)30-14-15(3)4/h7-13,15H,5-6,14H2,1-4H3,(H2,24,25,27,31)