4-[3-cyano-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]-N-[(6-phenylpyridin-3-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-[3-cyano-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]-N-[(6-phenylpyridin-3-yl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[3-cyano-6-methoxy-7-[3-(1-piperidyl)propoxy]-4-quinolyl]-N-[(6-phenyl-3-pyridyl)methyl]piperazine-1-carbothioamide CAS Name: 4-[3-cyano-6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinolinyl]-N-[(6-phenyl-3-pyridinyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-[3-cyano-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]-N-[(6-phenylpyridin-3-yl)methyl]piperazine-1-carbothioamide Traditional Name: 4-[3-cyano-6-methoxy-7-(3-piperidinopropoxy)-4-quinolyl]-N-[(6-phenyl-3-pyridyl)methyl]piperazine-1-carbothioamide Formula: C36H41N7O2S MolecularWeight: 635.82144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)N3CCN(CC3)C(=S)NCC4=CN=C(C=C4)C5=CC=CC=C5)OCCCN6CCCCC6

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)N3CCN(CC3)C(=S)NCC4=CN=C(C=C4)C5=CC=CC=C5)OCCCN6CCCCC6

InChI

InChI=1S/C36H41N7O2S/c1-44-33-21-30-32(22-34(33)45-20-8-15-41-13-6-3-7-14-41)39-26-29(23-37)35(30)42-16-18-43(19-17-42)36(46)40-25-27-11-12-31(38-24-27)28-9-4-2-5-10-28/h2,4-5,9-12,21-22,24,26H,3,6-8,13-20,25H2,1H3,(H,40,46)