4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-[(4-pyridin-3-ylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-[(4-pyridin-3-ylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[6-methoxy-7-[2-(1-piperidyl)ethoxy]quinazolin-4-yl]-N-[[4-(3-pyridyl)phenyl]methyl]piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl]-N-[[4-(3-pyridinyl)phenyl]methyl]-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-[(4-pyridin-3-ylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(2-piperidinoethoxy)quinazolin-4-yl]-N-[4-(3-pyridyl)benzyl]piperazine-1-carbothioamide Formula: C33H39N7O2S MolecularWeight: 597.77346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=C(C=C4)C5=CN=CC=C5)OCCN6CCCCC6

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=C(C=C4)C5=CN=CC=C5)OCCN6CCCCC6

InChI

InChI=1S/C33H39N7O2S/c1-41-30-20-28-29(21-31(30)42-19-18-38-12-3-2-4-13-38)36-24-37-32(28)39-14-16-40(17-15-39)33(43)35-22-25-7-9-26(10-8-25)27-6-5-11-34-23-27/h5-11,20-21,23-24H,2-4,12-19,22H2,1H3,(H,35,43)