N-[4-[(4-chloranyl-3-fluoranyl-phenyl)carbamothioylamino]phenyl]sulfonylethanamide

Systemtic Name: N-[4-[(4-chloranyl-3-fluoranyl-phenyl)carbamothioylamino]phenyl]sulfonylethanamide Openeye Name: N-[4-[(4-chloro-3-fluoro-phenyl)carbamothioylamino]phenyl]sulfonylacetamide CAS Name: N-[4-[[(4-chloro-3-fluoroanilino)-sulfanylidenemethyl]amino]phenyl]sulfonylacetamide IUPAC Name: N-[4-[(4-chloro-3-fluorophenyl)carbamothioylamino]phenyl]sulfonylacetamide Traditional Name: N-[4-[(4-chloro-3-fluoro-phenyl)thiocarbamoylamino]phenyl]sulfonylacetamide Formula: C15H13ClFN3O3S2 MolecularWeight: 401.863423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)Cl)F

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)Cl)F

InChI

InChI=1S/C15H13ClFN3O3S2/c1-9(21)20-25(22,23)12-5-2-10(3-6-12)18-15(24)19-11-4-7-13(16)14(17)8-11/h2-8H,1H3,(H,20,21)(H2,18,19,24)