N-[(4-chlorophenyl)methyl]-6-(2-ethylsulfanylethylsulfamoyl)-8-fluoranyl-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(2-ethylsulfanylethylsulfamoyl)-8-fluoranyl-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(2-ethylsulfanylethylsulfamoyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-[2-(ethylthio)ethylsulfamoyl]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(2-ethylsulfanylethylsulfamoyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-[2-(ethylthio)ethylsulfamoyl]-8-fluoro-4-keto-1H-quinoline-3-carboxamide Formula: C21H21ClFN3O4S2 MolecularWeight: 497.990543

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNS(=O)(=O)C1=CC(=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)Cl)F

Isomeric SMILES

CCSCCNS(=O)(=O)C1=CC(=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C21H21ClFN3O4S2/c1-2-31-8-7-26-32(29,30)15-9-16-19(18(23)10-15)24-12-17(20(16)27)21(28)25-11-13-3-5-14(22)6-4-13/h3-6,9-10,12,26H,2,7-8,11H2,1H3,(H,24,27)(H,25,28)