3-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-methylsulfanyl-1-(pyridin-4-ylmethyl)quinolin-2-one

Systemtic Name: 3-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-methylsulfanyl-1-(pyridin-4-ylmethyl)quinolin-2-one Openeye Name: 3-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-methylsulfanyl-1-(4-pyridylmethyl)quinolin-2-one CAS Name: 3-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-(methylthio)-1-(pyridin-4-ylmethyl)-2-quinolinone IUPAC Name: 3-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-methylsulfanyl-1-(pyridin-4-ylmethyl)quinolin-2-one Traditional Name: 7-(methylthio)-3-[(piperonylamino)methyl]-1-(4-pyridylmethyl)carbostyril Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC3=CC=NC=C3)CNCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC3=CC=NC=C3)CNCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H23N3O3S/c1-32-21-4-3-19-11-20(14-27-13-18-2-5-23-24(10-18)31-16-30-23)25(29)28(22(19)12-21)15-17-6-8-26-9-7-17/h2-12,27H,13-16H2,1H3