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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-(tert-butylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[4-(tert-butylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C22H28BrN3O4S2 MolecularWeight: 542.50942

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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)NC(C)(C)C)Br

Isomeric SMILES

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

InChI

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