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

Systemtic Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoyl]-4-heptoxy-benzamide Formula: C29H35N3O4S2 MolecularWeight: 553.7359

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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(=CC(=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H35N3O4S2/c1-4-5-6-7-8-17-36-26-13-9-23(10-14-26)28(33)31-29(37)30-24-11-15-27(16-12-24)38(34,35)32-25-19-21(2)18-22(3)20-25/h9-16,18-20,32H,4-8,17H2,1-3H3,(H2,30,31,33,37)