3-bromanyl-4-butoxy-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[4-(isopropylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-(propan-2-ylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[4-(isopropylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H26BrN3O4S2 MolecularWeight: 528.48284

Click to see the large picture

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)Br

Isomeric SMILES

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

InChI

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