7-methylsulfanyl-3-[[(4-oxidanylcyclohexyl)amino]methyl]-1-(pyridin-4-ylmethyl)quinolin-2-one

Systemtic Name: 7-methylsulfanyl-3-[[(4-oxidanylcyclohexyl)amino]methyl]-1-(pyridin-4-ylmethyl)quinolin-2-one Openeye Name: 3-[[(4-hydroxycyclohexyl)amino]methyl]-7-methylsulfanyl-1-(4-pyridylmethyl)quinolin-2-one CAS Name: 3-[[(4-hydroxycyclohexyl)amino]methyl]-7-(methylthio)-1-(pyridin-4-ylmethyl)-2-quinolinone IUPAC Name: 3-[[(4-hydroxycyclohexyl)amino]methyl]-7-methylsulfanyl-1-(pyridin-4-ylmethyl)quinolin-2-one Traditional Name: 3-[[(4-hydroxycyclohexyl)amino]methyl]-7-(methylthio)-1-(4-pyridylmethyl)carbostyril Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC3=CC=NC=C3)CNC4CCC(CC4)O

Isomeric SMILES

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC3=CC=NC=C3)CNC4CCC(CC4)O

InChI

InChI=1S/C23H27N3O2S/c1-29-21-7-2-17-12-18(14-25-19-3-5-20(27)6-4-19)23(28)26(22(17)13-21)15-16-8-10-24-11-9-16/h2,7-13,19-20,25,27H,3-6,14-15H2,1H3