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

Systemtic Name: N-[(6-chloranylpyridin-3-yl)methyl]-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide Openeye Name: N-[(6-chloro-3-pyridyl)methyl]-4-[6-methoxy-7-[3-(1-piperidyl)propoxy]quinazolin-4-yl]piperazine-1-carbothioamide CAS Name: N-[(6-chloro-3-pyridinyl)methyl]-4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-1-piperazinecarbothioamide IUPAC Name: N-[(6-chloropyridin-3-yl)methyl]-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide Traditional Name: N-[(6-chloro-3-pyridyl)methyl]-4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]piperazine-1-carbothioamide Formula: C28H36ClN7O2S MolecularWeight: 570.14914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36ClN7O2S/c1-37-24-16-22-23(17-25(24)38-15-5-10-34-8-3-2-4-9-34)32-20-33-27(22)35-11-13-36(14-12-35)28(39)31-19-21-6-7-26(29)30-18-21/h6-7,16-18,20H,2-5,8-15,19H2,1H3,(H,31,39)