5-bromanyl-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[4-[(4-ethoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-2-hexoxy-N-[[4-(p-phenetylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C28H32BrN3O5S2 MolecularWeight: 634.60478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C28H32BrN3O5S2/c1-3-5-6-7-18-37-26-17-8-20(29)19-25(26)27(33)31-28(38)30-21-11-15-24(16-12-21)39(34,35)32-22-9-13-23(14-10-22)36-4-2/h8-17,19,32H,3-7,18H2,1-2H3,(H2,30,31,33,38)