N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoyl]benzamide Formula: C27H31N3O4S2 MolecularWeight: 525.68274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C27H31N3O4S2/c1-4-5-8-18-34-24-13-7-6-12-23(24)26(31)29-27(35)28-21-14-16-22(17-15-21)36(32,33)30-25-19(2)10-9-11-20(25)3/h6-7,9-17,30H,4-5,8,18H2,1-3H3,(H2,28,29,31,35)