N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide

Systemtic Name: N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide Openeye Name: N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-[3-(1-piperidyl)propoxy]quinazolin-4-yl]piperazine-1-carbothioamide CAS Name: N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-1-piperazinecarbothioamide IUPAC Name: N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide Traditional Name: N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]piperazine-1-carbothioamide Formula: C26H36N8O2S MolecularWeight: 524.68144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=NC=CN4)OCCCN5CCCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=NC=CN4)OCCCN5CCCCC5

InChI

InChI=1S/C26H36N8O2S/c1-35-22-16-20-21(17-23(22)36-15-5-10-32-8-3-2-4-9-32)30-19-31-25(20)33-11-13-34(14-12-33)26(37)29-18-24-27-6-7-28-24/h6-7,16-17,19H,2-5,8-15,18H2,1H3,(H,27,28)(H,29,37)