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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[4-(propylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[4-(propylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C22H28BrN3O4S2 MolecularWeight: 542.50942

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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)OCCC(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrN3O4S2/c1-4-12-24-32(28,29)18-8-6-17(7-9-18)25-22(31)26-21(27)16-5-10-20(19(23)14-16)30-13-11-15(2)3/h5-10,14-15,24H,4,11-13H2,1-3H3,(H2,25,26,27,31)