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

Systemtic Name: 3-(2-methylpropoxy)-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-isobutoxy-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-(2-methylpropoxy)-N-[[4-(propylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(2-methylpropoxy)-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-isobutoxy-N-[[4-(propylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S2/c1-4-12-22-30(26,27)19-10-8-17(9-11-19)23-21(29)24-20(25)16-6-5-7-18(13-16)28-14-15(2)3/h5-11,13,15,22H,4,12,14H2,1-3H3,(H2,23,24,25,29)