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

Systemtic Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C22H20FN3O3S2 MolecularWeight: 457.540903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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