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

Systemtic Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(6-phenylpyridin-3-yl)piperazine-1-carbothioamide Openeye Name: 4-[6-methoxy-7-[3-(1-piperidyl)propoxy]quinazolin-4-yl]-N-(6-phenyl-3-pyridyl)piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-(6-phenyl-3-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(6-phenylpyridin-3-yl)piperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]-N-(6-phenyl-3-pyridyl)piperazine-1-carbothioamide Formula: C33H39N7O2S MolecularWeight: 597.77346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CN=C(C=C4)C5=CC=CC=C5)OCCCN6CCCCC6

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CN=C(C=C4)C5=CC=CC=C5)OCCCN6CCCCC6

InChI

InChI=1S/C33H39N7O2S/c1-41-30-21-27-29(22-31(30)42-20-8-15-38-13-6-3-7-14-38)35-24-36-32(27)39-16-18-40(19-17-39)33(43)37-26-11-12-28(34-23-26)25-9-4-2-5-10-25/h2,4-5,9-12,21-24H,3,6-8,13-20H2,1H3,(H,37,43)