4-hexoxy-N-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 4-hexoxy-N-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 4-hexoxy-N-[[4-[methyl-(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C28H33N3O4S2 MolecularWeight: 539.70932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C28H33N3O4S2/c1-3-4-5-9-20-35-25-16-12-23(13-17-25)27(32)30-28(36)29-24-14-18-26(19-15-24)37(33,34)31(2)21-22-10-7-6-8-11-22/h6-8,10-19H,3-5,9,20-21H2,1-2H3,(H2,29,30,32,36)