1-(4-fluoranyl-1H-indol-3-yl)-2-[4-(5-methyl-2-sulfanyl-phenyl)carbonylpiperazin-1-yl]ethane-1,2-dione

Systemtic Name: 1-(4-fluoranyl-1H-indol-3-yl)-2-[4-(5-methyl-2-sulfanyl-phenyl)carbonylpiperazin-1-yl]ethane-1,2-dione Openeye Name: 1-(4-fluoro-1H-indol-3-yl)-2-[4-(5-methyl-2-sulfanyl-benzoyl)piperazin-1-yl]ethane-1,2-dione CAS Name: 1-(4-fluoro-1H-indol-3-yl)-2-[4-[(2-mercapto-5-methylphenyl)-oxomethyl]-1-piperazinyl]ethane-1,2-dione IUPAC Name: 1-(4-fluoro-1H-indol-3-yl)-2-[4-(5-methyl-2-sulfanylbenzoyl)piperazin-1-yl]ethane-1,2-dione Traditional Name: 1-(4-fluoro-1H-indol-3-yl)-2-[4-(2-mercapto-5-methyl-benzoyl)piperazino]ethane-1,2-dione Formula: C22H20FN3O3S MolecularWeight: 425.475903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S)C(=O)N2CCN(CC2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)S)C(=O)N2CCN(CC2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F

InChI

InChI=1S/C22H20FN3O3S/c1-13-5-6-18(30)14(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/h2-6,11-12,24,30H,7-10H2,1H3