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

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanone Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(p-tolylmethyl)quinoxalin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[[3-[(4-methylphenyl)methyl]-2-quinoxalinyl]thio]ethanone IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylethanone Traditional Name: 1-[4-(2-methoxyphenyl)piperazino]-2-[[3-(4-methylbenzyl)quinoxalin-2-yl]thio]ethanone Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C29H30N4O2S/c1-21-11-13-22(14-12-21)19-25-29(31-24-8-4-3-7-23(24)30-25)36-20-28(34)33-17-15-32(16-18-33)26-9-5-6-10-27(26)35-2/h3-14H,15-20H2,1-2H3