1-(4-methylsulfanylphenyl)-4-[4-(2-phenylquinolin-4-yl)carbonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-methylsulfanylphenyl)-4-[4-(2-phenylquinolin-4-yl)carbonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-methylsulfanylphenyl)-4-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-[4-(methylthio)phenyl]-4-[4-[oxo-(2-phenyl-4-quinolinyl)methyl]-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-methylsulfanylphenyl)-4-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-[4-(methylthio)phenyl]-4-[4-(2-phenylquinoline-4-carbonyl)piperazino]butane-1,4-dione Formula: C31H29N3O3S MolecularWeight: 523.64526

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C31H29N3O3S/c1-38-24-13-11-23(12-14-24)29(35)15-16-30(36)33-17-19-34(20-18-33)31(37)26-21-28(22-7-3-2-4-8-22)32-27-10-6-5-9-25(26)27/h2-14,21H,15-20H2,1H3