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

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

Click to see the large picture

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=C(C=C4)F

Isomeric SMILES

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

InChI

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