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

Systemtic Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-[(4-pyridin-2-ylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[6-methoxy-7-[2-(1-piperidyl)ethoxy]quinazolin-4-yl]-N-[[4-(2-pyridyl)phenyl]methyl]piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl]-N-[[4-(2-pyridinyl)phenyl]methyl]-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-[(4-pyridin-2-ylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(2-piperidinoethoxy)quinazolin-4-yl]-N-[4-(2-pyridyl)benzyl]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)NCC4=CC=C(C=C4)C5=CC=CC=N5)OCCN6CCCCC6

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=C(C=C4)C5=CC=CC=N5)OCCN6CCCCC6

InChI

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