4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1-methyl-quinolin-2-one

Systemtic Name: 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1-methyl-quinolin-2-one Openeye Name: 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1-methyl-quinolin-2-one CAS Name: 4-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-1-methyl-2-quinolinone IUPAC Name: 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1-methylquinolin-2-one Traditional Name: 4-[[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]thio]-1-methyl-carbostyril Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN3O2S/c1-24-19-8-3-2-7-18(19)20(14-21(24)27)29-15-22(28)26-11-9-25(10-12-26)17-6-4-5-16(23)13-17/h2-8,13-14H,9-12,15H2,1H3