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

Systemtic Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1-methyl-quinolin-2-one Openeye Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1-methyl-quinolin-2-one CAS Name: 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]thio]-1-methyl-2-quinolinone IUPAC Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1-methylquinolin-2-one Traditional Name: 4-[[2-keto-2-(4-piperonylpiperazino)ethyl]thio]-1-methyl-carbostyril Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25N3O4S/c1-25-19-5-3-2-4-18(19)22(13-23(25)28)32-15-24(29)27-10-8-26(9-11-27)14-17-6-7-20-21(12-17)31-16-30-20/h2-7,12-13H,8-11,14-16H2,1H3