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

Systemtic Name: 1-(4-fluoranyl-1H-indol-3-yl)-2-[4-(3-sulfanylphenyl)carbonylpiperazin-1-yl]ethane-1,2-dione Openeye Name: 1-(4-fluoro-1H-indol-3-yl)-2-[4-(3-sulfanylbenzoyl)piperazin-1-yl]ethane-1,2-dione CAS Name: 1-(4-fluoro-1H-indol-3-yl)-2-[4-[(3-mercaptophenyl)-oxomethyl]-1-piperazinyl]ethane-1,2-dione IUPAC Name: 1-(4-fluoro-1H-indol-3-yl)-2-[4-(3-sulfanylbenzoyl)piperazin-1-yl]ethane-1,2-dione Traditional Name: 1-(4-fluoro-1H-indol-3-yl)-2-[4-(3-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=C2)S)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F

Isomeric SMILES

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

InChI

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