1-[[2-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-7-methylsulfanyl-quinolin-3-yl]methylamino]propan-2-ol

Systemtic Name: 1-[[2-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-7-methylsulfanyl-quinolin-3-yl]methylamino]propan-2-ol Openeye Name: 1-[[2-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-7-methylsulfanyl-3-quinolyl]methylamino]propan-2-ol CAS Name: 1-[[2-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-7-(methylthio)-3-quinolinyl]methylamino]-2-propanol IUPAC Name: 1-[[2-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-7-methylsulfanylquinolin-3-yl]methylamino]propan-2-ol Traditional Name: 1-[[2-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-7-(methylthio)-3-quinolyl]methylamino]propan-2-ol Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCC1=C(N=C2C=C(C=CC2=C1)SC)OCC3=CC4=C(C=C3Cl)OCO4)O

Isomeric SMILES

CC(CNCC1=C(N=C2C=C(C=CC2=C1)SC)OCC3=CC4=C(C=C3Cl)OCO4)O

InChI

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