3-[(3-fluorophenyl)methylsulfanylmethyl]-7-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonyl-3,4-dihydro-1H-quinoxalin-2-one

Systemtic Name: 3-[(3-fluorophenyl)methylsulfanylmethyl]-7-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-[(3-fluorophenyl)methylsulfanylmethyl]-7-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[[(3-fluorophenyl)methylthio]methyl]-7-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(3-fluorophenyl)methylsulfanylmethyl]-7-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[[(3-fluorobenzyl)thio]methyl]-7-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one Formula: C29H31FN4O2S MolecularWeight: 518.645443

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC(=CC=C5)F

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC(=CC=C5)F

InChI

InChI=1S/C29H31FN4O2S/c1-19-5-3-8-24(13-19)34-12-11-33(16-20(34)2)29(36)22-9-10-25-26(15-22)32-28(35)27(31-25)18-37-17-21-6-4-7-23(30)14-21/h3-10,13-15,20,27,31H,11-12,16-18H2,1-2H3,(H,32,35)