3-bromanyl-N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[4-[(3,4-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C28H32BrN3O4S2 MolecularWeight: 618.60538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32BrN3O4S2/c1-4-5-6-7-16-36-26-15-9-21(18-25(26)29)27(33)31-28(37)30-22-11-13-24(14-12-22)38(34,35)32-23-10-8-19(2)20(3)17-23/h8-15,17-18,32H,4-7,16H2,1-3H3,(H2,30,31,33,37)