5-bromanyl-2-methoxy-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C23H22BrN3O4S2 MolecularWeight: 548.47248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H22BrN3O4S2/c1-31-21-12-7-17(24)15-20(21)22(28)27-23(32)26-18-8-10-19(11-9-18)33(29,30)25-14-13-16-5-3-2-4-6-16/h2-12,15,25H,13-14H2,1H3,(H2,26,27,28,32)