N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[[4-[(2,6-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=C(C=CC=C3C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C=CC=C3C)C

InChI

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