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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-methylsulfanyl-3-[(pyridin-3-ylmethylamino)methyl]quinolin-2-one Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-methylsulfanyl-3-[(3-pyridylmethylamino)methyl]quinolin-2-one CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-(methylthio)-3-[(3-pyridinylmethylamino)methyl]-2-quinolinone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-methylsulfanyl-3-[(pyridin-3-ylmethylamino)methyl]quinolin-2-one Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-(methylthio)-3-[(3-pyridylmethylamino)methyl]carbostyril Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC3COC4=CC=CC=C4O3)CNCC5=CN=CC=C5

Isomeric SMILES

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC3COC4=CC=CC=C4O3)CNCC5=CN=CC=C5

InChI

InChI=1S/C26H25N3O3S/c1-33-22-9-8-19-11-20(15-28-14-18-5-4-10-27-13-18)26(30)29(23(19)12-22)16-21-17-31-24-6-2-3-7-25(24)32-21/h2-13,21,28H,14-17H2,1H3