4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-1-methyl-quinolin-2-one

Systemtic Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-1-methyl-quinolin-2-one Openeye Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-7-chloro-1-methyl-quinolin-2-one CAS Name: 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]thio]-7-chloro-1-methyl-2-quinolinone IUPAC Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-7-chloro-1-methylquinolin-2-one Traditional Name: 7-chloro-4-[[2-keto-2-(4-piperonylpiperazino)ethyl]thio]-1-methyl-carbostyril Formula: C24H24ClN3O4S MolecularWeight: 485.98306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)Cl)C(=CC1=O)SCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C2=C(C=CC(=C2)Cl)C(=CC1=O)SCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H24ClN3O4S/c1-26-19-11-17(25)3-4-18(19)22(12-23(26)29)33-14-24(30)28-8-6-27(7-9-28)13-16-2-5-20-21(10-16)32-15-31-20/h2-5,10-12H,6-9,13-15H2,1H3