N-[[3-[(3-chlorophenyl)sulfamoyl]-4-methyl-phenyl]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[3-[(3-chlorophenyl)sulfamoyl]-4-methyl-phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[3-[(3-chlorophenyl)sulfamoyl]-4-methyl-phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylanilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[3-[(3-chlorophenyl)sulfamoyl]-4-methyl-phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C21H17ClFN3O3S2 MolecularWeight: 477.959383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F)S(=O)(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F)S(=O)(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H17ClFN3O3S2/c1-13-5-10-17(24-21(30)25-20(27)14-6-8-16(23)9-7-14)12-19(13)31(28,29)26-18-4-2-3-15(22)11-18/h2-12,26H,1H3,(H2,24,25,27,30)