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

Systemtic Name: 1-(4-fluoranyl-1H-indol-3-yl)-2-[4-(4-methoxy-2-sulfanyl-phenyl)carbonylpiperazin-1-yl]ethane-1,2-dione Openeye Name: 1-(4-fluoro-1H-indol-3-yl)-2-[4-(4-methoxy-2-sulfanyl-benzoyl)piperazin-1-yl]ethane-1,2-dione CAS Name: 1-(4-fluoro-1H-indol-3-yl)-2-[4-[(2-mercapto-4-methoxyphenyl)-oxomethyl]-1-piperazinyl]ethane-1,2-dione IUPAC Name: 1-(4-fluoro-1H-indol-3-yl)-2-[4-(4-methoxy-2-sulfanylbenzoyl)piperazin-1-yl]ethane-1,2-dione Traditional Name: 1-(4-fluoro-1H-indol-3-yl)-2-[4-(2-mercapto-4-methoxy-benzoyl)piperazino]ethane-1,2-dione Formula: C22H20FN3O4S MolecularWeight: 441.475303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CCN(CC2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F)S

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CCN(CC2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F)S

InChI

InChI=1S/C22H20FN3O4S/c1-30-13-5-6-14(18(31)11-13)21(28)25-7-9-26(10-8-25)22(29)20(27)15-12-24-17-4-2-3-16(23)19(15)17/h2-6,11-12,24,31H,7-10H2,1H3