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

Systemtic Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-pyridin-4-yl-piperazine-1-carbothioamide Openeye Name: 4-[6-methoxy-7-[2-(1-piperidyl)ethoxy]quinazolin-4-yl]-N-(4-pyridyl)piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl]-N-pyridin-4-yl-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-pyridin-4-ylpiperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(2-piperidinoethoxy)quinazolin-4-yl]-N-(4-pyridyl)piperazine-1-carbothioamide Formula: C26H33N7O2S MolecularWeight: 507.65092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=NC=C4)OCCN5CCCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=NC=C4)OCCN5CCCCC5

InChI

InChI=1S/C26H33N7O2S/c1-34-23-17-21-22(18-24(23)35-16-15-31-9-3-2-4-10-31)28-19-29-25(21)32-11-13-33(14-12-32)26(36)30-20-5-7-27-8-6-20/h5-8,17-19H,2-4,9-16H2,1H3,(H,27,30,36)