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

Systemtic Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C22H20FN3O3S2 MolecularWeight: 457.540903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20FN3O3S2/c1-14-4-3-5-15(2)20(14)26-31(28,29)19-12-10-18(11-13-19)24-22(30)25-21(27)16-6-8-17(23)9-7-16/h3-13,26H,1-2H3,(H2,24,25,27,30)