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

Systemtic Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-pyridin-2-ylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[6-methoxy-7-[3-(1-piperidyl)propoxy]quinazolin-4-yl]-N-[4-(2-pyridyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-[4-(2-pyridinyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-pyridin-2-ylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]-N-[4-(2-pyridyl)phenyl]piperazine-1-carbothioamide Formula: C33H39N7O2S MolecularWeight: 597.77346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H39N7O2S/c1-41-30-22-27-29(23-31(30)42-21-7-16-38-14-5-2-6-15-38)35-24-36-32(27)39-17-19-40(20-18-39)33(43)37-26-11-9-25(10-12-26)28-8-3-4-13-34-28/h3-4,8-13,22-24H,2,5-7,14-21H2,1H3,(H,37,43)