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

Systemtic Name: N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[4-[(4-ethoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-heptoxybenzamide Traditional Name: 4-heptoxy-N-[[4-(p-phenetylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C29H35N3O5S2 MolecularWeight: 569.7353

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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)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C29H35N3O5S2/c1-3-5-6-7-8-21-37-26-15-9-22(10-16-26)28(33)31-29(38)30-23-13-19-27(20-14-23)39(34,35)32-24-11-17-25(18-12-24)36-4-2/h9-20,32H,3-8,21H2,1-2H3,(H2,30,31,33,38)