6-[[[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]-piperidin-4-yl-amino]methyl]-3-methyl-1,3-benzoxazole-2-thione

Systemtic Name: 6-[[[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]-piperidin-4-yl-amino]methyl]-3-methyl-1,3-benzoxazole-2-thione Openeye Name: 6-[[[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-(4-piperidyl)amino]methyl]-3-methyl-1,3-benzoxazole-2-thione CAS Name: 6-[[[2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-(4-piperidinyl)amino]methyl]-3-methyl-1,3-benzoxazole-2-thione IUPAC Name: 6-[[[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-piperidin-4-ylamino]methyl]-3-methyl-1,3-benzoxazole-2-thione Traditional Name: 6-[[[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-(4-piperidyl)amino]methyl]-3-methyl-1,3-benzoxazole-2-thione Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CN(CC(C3=C4C=C(C=CC4=NC=C3)OC)O)C5CCNCC5)OC1=S

Isomeric SMILES

CN1C2=C(C=C(C=C2)CN(CC(C3=C4C=C(C=CC4=NC=C3)OC)O)C5CCNCC5)OC1=S

InChI

InChI=1S/C26H30N4O3S/c1-29-23-6-3-17(13-25(23)33-26(29)34)15-30(18-7-10-27-11-8-18)16-24(31)20-9-12-28-22-5-4-19(32-2)14-21(20)22/h3-6,9,12-14,18,24,27,31H,7-8,10-11,15-16H2,1-2H3