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

Systemtic Name: 2-fluoranyl-N-[4-[[3-(2-hydroxyethylsulfonyl)phenyl]carbamothioylamino]phenyl]benzamide Openeye Name: 2-fluoro-N-[4-[[3-(2-hydroxyethylsulfonyl)phenyl]carbamothioylamino]phenyl]benzamide CAS Name: 2-fluoro-N-[4-[[[3-(2-hydroxyethylsulfonyl)anilino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-[[3-(2-hydroxyethylsulfonyl)phenyl]carbamothioylamino]phenyl]benzamide Traditional Name: 2-fluoro-N-[4-[[3-(2-hydroxyethylsulfonyl)phenyl]thiocarbamoylamino]phenyl]benzamide Formula: C22H20FN3O4S2 MolecularWeight: 473.540303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=CC=C3)S(=O)(=O)CCO)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=CC=C3)S(=O)(=O)CCO)F

InChI

InChI=1S/C22H20FN3O4S2/c23-20-7-2-1-6-19(20)21(28)24-15-8-10-16(11-9-15)25-22(31)26-17-4-3-5-18(14-17)32(29,30)13-12-27/h1-11,14,27H,12-13H2,(H,24,28)(H2,25,26,31)