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

Systemtic Name: 5-bromanyl-N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[4-[methyl(phenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[4-[methyl(phenyl)sulfamoyl]phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C29H26BrN3O4S2 MolecularWeight: 624.56844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26BrN3O4S2/c1-33(24-10-6-3-7-11-24)39(35,36)25-15-13-23(14-16-25)31-29(38)32-28(34)26-20-22(30)12-17-27(26)37-19-18-21-8-4-2-5-9-21/h2-17,20H,18-19H2,1H3,(H2,31,32,34,38)