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

Systemtic Name: 3-[(3-fluorophenyl)methylsulfanylmethyl]-7-(4-methylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-[(3-fluorophenyl)methylsulfanylmethyl]-7-(4-methylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[[(3-fluorophenyl)methylthio]methyl]-7-[(4-methyl-1-piperazinyl)-oxomethyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(3-fluorophenyl)methylsulfanylmethyl]-7-(4-methylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[[(3-fluorobenzyl)thio]methyl]-7-(4-methylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Formula: C22H25FN4O2S MolecularWeight: 428.522903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=CC(=CC=C4)F

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=CC(=CC=C4)F

InChI

InChI=1S/C22H25FN4O2S/c1-26-7-9-27(10-8-26)22(29)16-5-6-18-19(12-16)25-21(28)20(24-18)14-30-13-15-3-2-4-17(23)11-15/h2-6,11-12,20,24H,7-10,13-14H2,1H3,(H,25,28)