3-bromanyl-4-hexoxy-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[4-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[4-(2-oxolanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[4-(tetrahydrofurfurylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C25H32BrN3O5S2 MolecularWeight: 598.57268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3)Br

InChI

InChI=1S/C25H32BrN3O5S2/c1-2-3-4-5-14-34-23-13-8-18(16-22(23)26)24(30)29-25(35)28-19-9-11-21(12-10-19)36(31,32)27-17-20-7-6-15-33-20/h8-13,16,20,27H,2-7,14-15,17H2,1H3,(H2,28,29,30,35)