7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-[(2-methylphenyl)methylsulfanylmethyl]-3,4-dihydro-1H-quinoxalin-2-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-[(2-methylphenyl)methylsulfanylmethyl]-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(o-tolylmethylsulfanylmethyl)-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-[[(2-methylphenyl)methylthio]methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-[(2-methylphenyl)methylsulfanylmethyl]-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-[[(2-methylbenzyl)thio]methyl]-3,4-dihydro-1H-quinoxalin-2-one Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC=CC=C1CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H27N3O2S/c1-18-6-2-3-9-22(18)16-33-17-25-26(31)29-24-14-20(10-11-23(24)28-25)27(32)30-13-12-19-7-4-5-8-21(19)15-30/h2-11,14,25,28H,12-13,15-17H2,1H3,(H,29,31)