1-[4-(3-bromanyl-2-sulfanyl-phenyl)carbonylpiperazin-1-yl]-2-(4-fluoranyl-1H-indol-3-yl)ethane-1,2-dione

Systemtic Name: 1-[4-(3-bromanyl-2-sulfanyl-phenyl)carbonylpiperazin-1-yl]-2-(4-fluoranyl-1H-indol-3-yl)ethane-1,2-dione Openeye Name: 1-[4-(3-bromo-2-sulfanyl-benzoyl)piperazin-1-yl]-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione CAS Name: 1-[4-[(3-bromo-2-mercaptophenyl)-oxomethyl]-1-piperazinyl]-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione IUPAC Name: 1-[4-(3-bromo-2-sulfanylbenzoyl)piperazin-1-yl]-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione Traditional Name: 1-[4-(3-bromo-2-mercapto-benzoyl)piperazino]-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione Formula: C21H17BrFN3O3S MolecularWeight: 490.345383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C(=CC=C2)Br)S)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/h1-6,11,24,30H,7-10H2