1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-7-methylsulfanyl-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-7-methylsulfanyl-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-methylsulfanyl-3-[(2-pyridylmethylamino)methyl]quinolin-2-one CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-(methylthio)-3-[(2-pyridinylmethylamino)methyl]-2-quinolinone IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-methylsulfanyl-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-(methylthio)-3-[(2-pyridylmethylamino)methyl]carbostyril Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC3=CC4=C(C=C3Cl)OCO4)CNCC5=CC=CC=N5

Isomeric SMILES

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC3=CC4=C(C=C3Cl)OCO4)CNCC5=CC=CC=N5

InChI

InChI=1S/C25H22ClN3O3S/c1-33-20-6-5-16-8-17(12-27-13-19-4-2-3-7-28-19)25(30)29(22(16)10-20)14-18-9-23-24(11-21(18)26)32-15-31-23/h2-11,27H,12-15H2,1H3