3-[(4-methylphenyl)methylsulfanylmethyl]-7-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-quinoxalin-2-one

Systemtic Name: 3-[(4-methylphenyl)methylsulfanylmethyl]-7-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-(p-tolylmethylsulfanylmethyl)-7-[4-(2-pyridyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[[(4-methylphenyl)methylthio]methyl]-7-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(4-methylphenyl)methylsulfanylmethyl]-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[[(4-methylbenzyl)thio]methyl]-7-[4-(2-pyridyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C27H29N5O2S/c1-19-5-7-20(8-6-19)17-35-18-24-26(33)30-23-16-21(9-10-22(23)29-24)27(34)32-14-12-31(13-15-32)25-4-2-3-11-28-25/h2-11,16,24,29H,12-15,17-18H2,1H3,(H,30,33)