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

Systemtic Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(pyridin-4-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-[6-methoxy-7-[3-(1-piperidyl)propoxy]quinazolin-4-yl]-N-(4-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-(pyridin-4-ylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(pyridin-4-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]-N-(4-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=CC=NC=C4)OCCCN5CCCCC5

Isomeric SMILES

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

InChI

InChI=1S/C28H37N7O2S/c1-36-25-18-23-24(19-26(25)37-17-5-12-33-10-3-2-4-11-33)31-21-32-27(23)34-13-15-35(16-14-34)28(38)30-20-22-6-8-29-9-7-22/h6-9,18-19,21H,2-5,10-17,20H2,1H3,(H,30,38)