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

Systemtic Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one Openeye Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1-ethyl-quinolin-2-one CAS Name: 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]thio]-1-ethyl-2-quinolinone IUPAC Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1-ethylquinolin-2-one Traditional Name: 1-ethyl-4-[[2-keto-2-(4-piperonylpiperazino)ethyl]thio]carbostyril Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N3O4S/c1-2-28-20-6-4-3-5-19(20)23(14-24(28)29)33-16-25(30)27-11-9-26(10-12-27)15-18-7-8-21-22(13-18)32-17-31-21/h3-8,13-14H,2,9-12,15-17H2,1H3