N-(1,3-benzothiazol-6-yl)-1-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-6-yl)-1-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-6-yl)-1-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-6-yl)-1-[2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-6-yl)-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-6-yl)-1-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]isonipecotamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(CC3)C(=O)NC4=CC5=C(C=C4)N=CS5)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(CC3)C(=O)NC4=CC5=C(C=C4)N=CS5)O

InChI

InChI=1S/C25H26N4O3S/c1-32-18-3-5-21-20(13-18)19(6-9-26-21)23(30)14-29-10-7-16(8-11-29)25(31)28-17-2-4-22-24(12-17)33-15-27-22/h2-6,9,12-13,15-16,23,30H,7-8,10-11,14H2,1H3,(H,28,31)