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

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-[(2-methoxyethylamino)methyl]-7-methylsulfanyl-quinolin-2-one Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-[(2-methoxyethylamino)methyl]-7-methylsulfanyl-quinolin-2-one CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-[(2-methoxyethylamino)methyl]-7-(methylthio)-2-quinolinone IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-[(2-methoxyethylamino)methyl]-7-methylsulfanylquinolin-2-one Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-[(2-methoxyethylamino)methyl]-7-(methylthio)carbostyril Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

COCCNCC1=CC2=C(C=C(C=C2)SC)N(C1=O)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

COCCNCC1=CC2=C(C=C(C=C2)SC)N(C1=O)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C22H23ClN2O4S/c1-27-6-5-24-11-15-7-14-3-4-17(30-2)9-19(14)25(22(15)26)12-16-8-20-21(10-18(16)23)29-13-28-20/h3-4,7-10,24H,5-6,11-13H2,1-2H3