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

Systemtic Name: 4-heptoxy-N-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]-4-heptoxy-benzamide CAS Name: 4-heptoxy-N-[[4-[(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[[4-(benzylsulfamoyl)phenyl]thiocarbamoyl]-4-heptoxy-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)NCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3

InChI

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