3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanylmethyl]-7-(4-methylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-quinoxalin-2-one

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanylmethyl]-7-(4-methylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanylmethyl]-7-(4-methylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[[(2-chloro-6-fluorophenyl)methylthio]methyl]-7-[(4-methyl-1-piperazinyl)-oxomethyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-7-(4-methylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[[(2-chloro-6-fluoro-benzyl)thio]methyl]-7-(4-methylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Formula: C22H24ClFN4O2S MolecularWeight: 462.967963

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=C(C=CC=C4Cl)F

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H24ClFN4O2S/c1-27-7-9-28(10-8-27)22(30)14-5-6-18-19(11-14)26-21(29)20(25-18)13-31-12-15-16(23)3-2-4-17(15)24/h2-6,11,20,25H,7-10,12-13H2,1H3,(H,26,29)