2-chloranyl-N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: 2-chloranyl-N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: 2-chloro-N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: 2-chloro-N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: 2-chloro-N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: 2-chloro-4-fluoro-N-[[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C18H17ClFN4O3S2+ MolecularWeight: 455.933983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=S)NC(=O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=S)NC(=O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C18H16ClFN4O3S2/c19-15-9-11(20)6-7-14(15)17(25)23-18(28)22-12-3-1-4-13(10-12)29(26,27)24-16-5-2-8-21-16/h1,3-4,6-7,9-10H,2,5,8H2,(H,21,24)(H2,22,23,25,28)/p+1