3-bromanyl-4-ethoxy-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C24H24BrN3O4S2 MolecularWeight: 562.49906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3)Br

InChI

InChI=1S/C24H24BrN3O4S2/c1-2-32-22-13-8-18(16-21(22)25)23(29)28-24(33)27-19-9-11-20(12-10-19)34(30,31)26-15-14-17-6-4-3-5-7-17/h3-13,16,26H,2,14-15H2,1H3,(H2,27,28,29,33)