2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]sulfanyl]-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-[(1-methyl-2-imidazolyl)-oxomethyl]-2-quinolinyl]thio]-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]thio]-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C30H27N5O4S2 MolecularWeight: 585.69648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)N4CCN(CC4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

CN1C=CN=C1C(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)N4CCN(CC4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C30H27N5O4S2/c1-33-13-12-31-30(33)29(37)25-19-27(32-26-9-5-4-8-24(25)26)40-20-28(36)34-14-16-35(17-15-34)41(38,39)23-11-10-21-6-2-3-7-22(21)18-23/h2-13,18-19H,14-17,20H2,1H3