2-[4-(1,3-benzothiazol-5-ylmethylamino)piperidin-2-yl]-1-(6-methoxyquinolin-4-yl)ethanol

Systemtic Name: 2-[4-(1,3-benzothiazol-5-ylmethylamino)piperidin-2-yl]-1-(6-methoxyquinolin-4-yl)ethanol Openeye Name: 2-[4-(1,3-benzothiazol-5-ylmethylamino)-2-piperidyl]-1-(6-methoxy-4-quinolyl)ethanol CAS Name: 2-[4-(1,3-benzothiazol-5-ylmethylamino)-2-piperidinyl]-1-(6-methoxy-4-quinolinyl)ethanol IUPAC Name: 2-[4-(1,3-benzothiazol-5-ylmethylamino)piperidin-2-yl]-1-(6-methoxyquinolin-4-yl)ethanol Traditional Name: 2-[4-(1,3-benzothiazol-5-ylmethylamino)-2-piperidyl]-1-(6-methoxy-4-quinolyl)ethanol Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CC3CC(CCN3)NCC4=CC5=C(C=C4)SC=N5)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CC3CC(CCN3)NCC4=CC5=C(C=C4)SC=N5)O

InChI

InChI=1S/C25H28N4O2S/c1-31-19-3-4-22-21(13-19)20(7-9-27-22)24(30)12-18-11-17(6-8-26-18)28-14-16-2-5-25-23(10-16)29-15-32-25/h2-5,7,9-10,13,15,17-18,24,26,28,30H,6,8,11-12,14H2,1H3