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

Systemtic Name: 3-bromanyl-4-(2-methylpropoxy)-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(2-methylpropoxy)-N-[[4-(propylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methylpropoxy)-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[[4-(propylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H26BrN3O4S2 MolecularWeight: 528.48284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3O4S2/c1-4-11-23-31(27,28)17-8-6-16(7-9-17)24-21(30)25-20(26)15-5-10-19(18(22)12-15)29-13-14(2)3/h5-10,12,14,23H,4,11,13H2,1-3H3,(H2,24,25,26,30)