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

Systemtic Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-pyridin-4-yl-piperazine-1-carbothioamide Openeye Name: 4-[6-methoxy-7-[3-(1-piperidyl)propoxy]quinazolin-4-yl]-N-(4-pyridyl)piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-pyridin-4-yl-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-pyridin-4-ylpiperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]-N-(4-pyridyl)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)NC4=CC=NC=C4)OCCCN5CCCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=NC=C4)OCCCN5CCCCC5

InChI

InChI=1S/C27H35N7O2S/c1-35-24-18-22-23(19-25(24)36-17-5-12-32-10-3-2-4-11-32)29-20-30-26(22)33-13-15-34(16-14-33)27(37)31-21-6-8-28-9-7-21/h6-9,18-20H,2-5,10-17H2,1H3,(H,28,31,37)