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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanylmethyl]-7-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-[(4-chlorophenyl)methylsulfanylmethyl]-7-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[[(4-chlorophenyl)methylthio]methyl]-7-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(4-chlorophenyl)methylsulfanylmethyl]-7-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[[(4-chlorobenzyl)thio]methyl]-7-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one Formula: C29H31ClN4O2S MolecularWeight: 535.10004

Click to see the large picture

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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H31ClN4O2S/c1-19-4-3-5-24(14-19)34-13-12-33(16-20(34)2)29(36)22-8-11-25-26(15-22)32-28(35)27(31-25)18-37-17-21-6-9-23(30)10-7-21/h3-11,14-15,20,27,31H,12-13,16-18H2,1-2H3,(H,32,35)