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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3

InChI

InChI=1S/C28H33N3O4S2/c1-3-4-5-6-10-21-35-25-17-13-22(14-18-25)27(32)30-28(36)29-23-15-19-26(20-16-23)37(33,34)31(2)24-11-8-7-9-12-24/h7-9,11-20H,3-6,10,21H2,1-2H3,(H2,29,30,32,36)