1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(phenylmethyl)quinoxalin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(phenylmethyl)quinoxalin-2-yl]sulfanyl-ethanone Openeye Name: 2-(3-benzylquinoxalin-2-yl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[[3-(phenylmethyl)-2-quinoxalinyl]thio]ethanone IUPAC Name: 2-(3-benzylquinoxalin-2-yl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(3-benzylquinoxalin-2-yl)thio]-1-[4-(2-methoxyphenyl)piperazino]ethanone Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2S/c1-34-26-14-8-7-13-25(26)31-15-17-32(18-16-31)27(33)20-35-28-24(19-21-9-3-2-4-10-21)29-22-11-5-6-12-23(22)30-28/h2-14H,15-20H2,1H3