N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoyl]benzamide Formula: C27H31N3O4S2 MolecularWeight: 525.68274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C)C

InChI

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