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

Systemtic Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-[6-methoxy-7-[3-(1-piperidyl)propoxy]quinazolin-4-yl]-N-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]-N-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C28H37N7O2S MolecularWeight: 535.70408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CN=CC=C4)OCCCN5CCCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CN=CC=C4)OCCCN5CCCCC5

InChI

InChI=1S/C28H37N7O2S/c1-36-25-17-23-24(18-26(25)37-16-6-11-33-9-3-2-4-10-33)31-21-32-27(23)34-12-14-35(15-13-34)28(38)30-20-22-7-5-8-29-19-22/h5,7-8,17-19,21H,2-4,6,9-16,20H2,1H3,(H,30,38)