N-[4-[(3-butyl-2-sulfamoyl-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[(3-butyl-2-sulfamoyl-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3-butyl-2-sulfamoyl-phenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[(3-butyl-2-sulfamoylanilino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3-butyl-2-sulfamoylphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[(3-butyl-2-sulfamoyl-phenyl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C24H25FN4O3S2 MolecularWeight: 500.608703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)S(=O)(=O)N

Isomeric SMILES

CCCCC1=C(C(=CC=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)S(=O)(=O)N

InChI

InChI=1S/C24H25FN4O3S2/c1-2-3-7-16-8-6-11-21(22(16)34(26,31)32)29-24(33)28-18-14-12-17(13-15-18)27-23(30)19-9-4-5-10-20(19)25/h4-6,8-15H,2-3,7H2,1H3,(H,27,30)(H2,26,31,32)(H2,28,29,33)