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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC)Br

InChI

InChI=1S/C21H26BrN3O4S2/c1-3-5-13-29-19-11-6-15(14-18(19)22)20(26)25-21(30)24-16-7-9-17(10-8-16)31(27,28)23-12-4-2/h6-11,14,23H,3-5,12-13H2,1-2H3,(H2,24,25,26,30)