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

Systemtic Name: 3-[(4-methylphenyl)methylsulfanylmethyl]-7-morpholin-4-ylcarbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 7-(morpholine-4-carbonyl)-3-(p-tolylmethylsulfanylmethyl)-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[[(4-methylphenyl)methylthio]methyl]-7-[4-morpholinyl(oxo)methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(4-methylphenyl)methylsulfanylmethyl]-7-(morpholine-4-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[[(4-methylbenzyl)thio]methyl]-7-(morpholine-4-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Formula: C22H25N3O3S MolecularWeight: 411.5172

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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)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C22H25N3O3S/c1-15-2-4-16(5-3-15)13-29-14-20-21(26)24-19-12-17(6-7-18(19)23-20)22(27)25-8-10-28-11-9-25/h2-7,12,20,23H,8-11,13-14H2,1H3,(H,24,26)