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

Systemtic Name: 3-[(4-methylphenyl)methylsulfanylmethyl]-7-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-(p-tolylmethylsulfanylmethyl)-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[[(4-methylphenyl)methylthio]methyl]-7-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(4-methylphenyl)methylsulfanylmethyl]-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[[(4-methylbenzyl)thio]methyl]-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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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)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H25N3O2S/c1-15-4-6-16(7-5-15)13-28-14-20-21(26)24-19-12-17(8-9-18(19)23-20)22(27)25-10-2-3-11-25/h4-9,12,20,23H,2-3,10-11,13-14H2,1H3,(H,24,26)