1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-7-methylsulfanyl-quinolin-2-one

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-7-methylsulfanyl-quinolin-2-one Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-7-methylsulfanyl-quinolin-2-one CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[[4-(3-methoxyphenyl)-1-piperazinyl]methyl]-7-(methylthio)-2-quinolinone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-7-methylsulfanylquinolin-2-one Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazino]methyl]-7-(methylthio)carbostyril Formula: C31H33N3O4S MolecularWeight: 543.67642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)CC3=CC4=C(C=C(C=C4)SC)N(C3=O)CC5COC6=CC=CC=C6O5

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)CC3=CC4=C(C=C(C=C4)SC)N(C3=O)CC5COC6=CC=CC=C6O5

InChI

InChI=1S/C31H33N3O4S/c1-36-25-7-5-6-24(17-25)33-14-12-32(13-15-33)19-23-16-22-10-11-27(39-2)18-28(22)34(31(23)35)20-26-21-37-29-8-3-4-9-30(29)38-26/h3-11,16-18,26H,12-15,19-21H2,1-2H3