4-[[2-(2-chloranylprop-2-enoxy)-7-methylsulfanyl-quinolin-3-yl]methylamino]adamantan-1-ol

Systemtic Name: 4-[[2-(2-chloranylprop-2-enoxy)-7-methylsulfanyl-quinolin-3-yl]methylamino]adamantan-1-ol Openeye Name: 4-[[2-(2-chloroallyloxy)-7-methylsulfanyl-3-quinolyl]methylamino]adamantan-1-ol CAS Name: 4-[[2-(2-chloroprop-2-enoxy)-7-(methylthio)-3-quinolinyl]methylamino]-1-adamantanol IUPAC Name: 4-[[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]methylamino]adamantan-1-ol Traditional Name: 4-[[2-(2-chloroallyloxy)-7-(methylthio)-3-quinolyl]methylamino]adamantan-1-ol Formula: C24H29ClN2O2S MolecularWeight: 445.01726

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CNC3C4CC5CC3CC(C5)(C4)O)OCC(=C)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CNC3C4CC5CC3CC(C5)(C4)O)OCC(=C)Cl

InChI

InChI=1S/C24H29ClN2O2S/c1-14(25)13-29-23-19(7-16-3-4-20(30-2)8-21(16)27-23)12-26-22-17-5-15-6-18(22)11-24(28,9-15)10-17/h3-4,7-8,15,17-18,22,26,28H,1,5-6,9-13H2,2H3