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

Systemtic Name: 1-(4-fluoranyl-1H-indol-3-yl)-2-[4-(2-sulfanylphenyl)carbonylpiperazin-1-yl]ethane-1,2-dione Openeye Name: 1-(4-fluoro-1H-indol-3-yl)-2-[4-(2-sulfanylbenzoyl)piperazin-1-yl]ethane-1,2-dione CAS Name: 1-(4-fluoro-1H-indol-3-yl)-2-[4-[(2-mercaptophenyl)-oxomethyl]-1-piperazinyl]ethane-1,2-dione IUPAC Name: 1-(4-fluoro-1H-indol-3-yl)-2-[4-(2-sulfanylbenzoyl)piperazin-1-yl]ethane-1,2-dione Traditional Name: 1-(4-fluoro-1H-indol-3-yl)-2-[4-(2-mercaptobenzoyl)piperazino]ethane-1,2-dione Formula: C21H18FN3O3S MolecularWeight: 411.449323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2S)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2S)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F

InChI

InChI=1S/C21H18FN3O3S/c22-15-5-3-6-16-18(15)14(12-23-16)19(26)21(28)25-10-8-24(9-11-25)20(27)13-4-1-2-7-17(13)29/h1-7,12,23,29H,8-11H2