5-bromanyl-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[4-[(4-methoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C29H26BrN3O5S2 MolecularWeight: 640.56784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C29H26BrN3O5S2/c1-37-24-12-8-23(9-13-24)33-40(35,36)25-14-10-22(11-15-25)31-29(39)32-28(34)26-19-21(30)7-16-27(26)38-18-17-20-5-3-2-4-6-20/h2-16,19,33H,17-18H2,1H3,(H2,31,32,34,39)