N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[4-[(3,4-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoyl]-2-fluoro-benzamide Formula: C22H20FN3O3S2 MolecularWeight: 457.540903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F)C

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F)C

InChI

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