N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-pentoxy-benzamide

Systemtic Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoyl]benzamide Formula: C27H31N3O4S2 MolecularWeight: 525.68274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C27H31N3O4S2/c1-4-5-6-15-34-24-11-7-21(8-12-24)26(31)29-27(35)28-22-9-13-25(14-10-22)36(32,33)30-23-17-19(2)16-20(3)18-23/h7-14,16-18,30H,4-6,15H2,1-3H3,(H2,28,29,31,35)