1-[4-(5-bromanyl-6-sulfanylidene-cyclohexa-1,3-dien-1-yl)carbonylpiperazin-1-yl]-2-(4-fluoranyl-1H-indol-3-yl)ethane-1,2-dione

Systemtic Name: 1-[4-(5-bromanyl-6-sulfanylidene-cyclohexa-1,3-dien-1-yl)carbonylpiperazin-1-yl]-2-(4-fluoranyl-1H-indol-3-yl)ethane-1,2-dione Openeye Name: 1-[4-(5-bromo-6-thioxo-cyclohexa-1,3-diene-1-carbonyl)piperazin-1-yl]-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione CAS Name: 1-[4-[(5-bromo-6-sulfanylidene-1-cyclohexa-1,3-dienyl)-oxomethyl]-1-piperazinyl]-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione IUPAC Name: 1-[4-(5-bromo-6-sulfanylidenecyclohexa-1,3-diene-1-carbonyl)piperazin-1-yl]-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione Traditional Name: 1-[4-(5-bromo-6-thioxo-cyclohexa-1,3-diene-1-carbonyl)piperazino]-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione Formula: C21H17BrFN3O3S MolecularWeight: 490.345383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC(C2=S)Br)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC(C2=S)Br)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F

InChI

InChI=1S/C21H17BrFN3O3S/c22-14-4-1-3-12(19(14)30)20(28)25-7-9-26(10-8-25)21(29)18(27)13-11-24-16-6-2-5-15(23)17(13)16/h1-6,11,14,24H,7-10H2