N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: 2-fluoro-N-[(4-indolin-1-ylsulfonylphenyl)carbamothioyl]benzamide CAS Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-2-fluorobenzamide Traditional Name: 2-fluoro-N-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoyl]benzamide Formula: C22H18FN3O3S2 MolecularWeight: 455.525023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C22H18FN3O3S2/c23-19-7-3-2-6-18(19)21(27)25-22(30)24-16-9-11-17(12-10-16)31(28,29)26-14-13-15-5-1-4-8-20(15)26/h1-12H,13-14H2,(H2,24,25,27,30)