N-[[2-chloranyl-5-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[2-chloranyl-5-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C21H17ClFN3O4S2 MolecularWeight: 493.958783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H17ClFN3O4S2/c1-30-16-8-6-15(7-9-16)26-32(28,29)17-10-11-18(22)19(12-17)24-21(31)25-20(27)13-2-4-14(23)5-3-13/h2-12,26H,1H3,(H2,24,25,27,31)