3-bromanyl-N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[4-[(2,6-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[4-[(2,6-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=C(C=CC=C3C)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C=CC=C3C)C)Br

InChI

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