3-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 3-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-(4-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(4-methoxyphenyl)-7-[oxo(1-piperidinyl)methyl]-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-(4-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-3-(4-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3S/c1-34-23-13-11-22(12-14-23)31-27(33)24-15-10-21(26(32)30-16-6-3-7-17-30)18-25(24)29-28(31)35-19-20-8-4-2-5-9-20/h2,4-5,8-15,18H,3,6-7,16-17,19H2,1H3