1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidyl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidinyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[4-[2-(4-methoxyphenyl)ethyl]piperidino]-2-(quinazolin-4-ylthio)ethanone Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C24H27N3O2S/c1-29-20-10-8-18(9-11-20)6-7-19-12-14-27(15-13-19)23(28)16-30-24-21-4-2-3-5-22(21)25-17-26-24/h2-5,8-11,17,19H,6-7,12-16H2,1H3