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

Systemtic Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-pyridin-3-yl-piperazine-1-carbothioamide Openeye Name: 4-[6-methoxy-7-[2-(1-piperidyl)ethoxy]quinazolin-4-yl]-N-(3-pyridyl)piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl]-N-(3-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-pyridin-3-ylpiperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(2-piperidinoethoxy)quinazolin-4-yl]-N-(3-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=CN=CC=C4)OCCN5CCCCC5

Isomeric SMILES

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

InChI

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