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

Systemtic Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-(pyridin-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-[6-methoxy-7-[2-(1-piperidyl)ethoxy]quinazolin-4-yl]-N-(2-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl]-N-(2-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-(pyridin-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(2-piperidinoethoxy)quinazolin-4-yl]-N-(2-pyridylmethyl)piperazine-1-carbothioamide Formula: C27H35N7O2S MolecularWeight: 521.6775

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=CC=N4)OCCN5CCCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=CC=N4)OCCN5CCCCC5

InChI

InChI=1S/C27H35N7O2S/c1-35-24-17-22-23(18-25(24)36-16-15-32-9-5-2-6-10-32)30-20-31-26(22)33-11-13-34(14-12-33)27(37)29-19-21-7-3-4-8-28-21/h3-4,7-8,17-18,20H,2,5-6,9-16,19H2,1H3,(H,29,37)