N-[[5-[(3-bromanyl-4-ethoxy-phenyl)sulfamoyl]-2-methoxy-phenyl]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[5-[(3-bromanyl-4-ethoxy-phenyl)sulfamoyl]-2-methoxy-phenyl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[5-[(3-bromo-4-ethoxy-phenyl)sulfamoyl]-2-methoxy-phenyl]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[5-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-2-methoxyanilino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[5-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[5-[(3-bromo-4-ethoxy-phenyl)sulfamoyl]-2-methoxy-phenyl]thiocarbamoyl]-2-fluoro-benzamide Formula: C23H21BrFN3O5S2 MolecularWeight: 582.462343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)NC(=S)NC(=O)C3=CC=CC=C3F)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)NC(=S)NC(=O)C3=CC=CC=C3F)Br

InChI

InChI=1S/C23H21BrFN3O5S2/c1-3-33-20-10-8-14(12-17(20)24)28-35(30,31)15-9-11-21(32-2)19(13-15)26-23(34)27-22(29)16-6-4-5-7-18(16)25/h4-13,28H,3H2,1-2H3,(H2,26,27,29,34)