4-[3-cyano-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]-N-(4-pyridin-2-ylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[3-cyano-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]-N-(4-pyridin-2-ylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[3-cyano-6-methoxy-7-[3-(1-piperidyl)propoxy]-4-quinolyl]-N-[4-(2-pyridyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-[3-cyano-6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinolinyl]-N-[4-(2-pyridinyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-[3-cyano-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]-N-(4-pyridin-2-ylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[3-cyano-6-methoxy-7-(3-piperidinopropoxy)-4-quinolyl]-N-[4-(2-pyridyl)phenyl]piperazine-1-carbothioamide Formula: C35H39N7O2S MolecularWeight: 621.79486

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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)NC4=CC=C(C=C4)C5=CC=CC=N5)OCCCN6CCCCC6

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)C5=CC=CC=N5)OCCCN6CCCCC6

InChI

InChI=1S/C35H39N7O2S/c1-43-32-22-29-31(23-33(32)44-21-7-16-40-14-5-2-6-15-40)38-25-27(24-36)34(29)41-17-19-42(20-18-41)35(45)39-28-11-9-26(10-12-28)30-8-3-4-13-37-30/h3-4,8-13,22-23,25H,2,5-7,14-21H2,1H3,(H,39,45)