3-(4-methylpyridin-2-yl)-2-[2-oxidanylidene-2-(4-phenethylpiperidin-1-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-methylpyridin-2-yl)-2-[2-oxidanylidene-2-(4-phenethylpiperidin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(4-methyl-2-pyridyl)-2-[2-oxo-2-(4-phenethyl-1-piperidyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(4-methyl-2-pyridinyl)-2-[[2-oxo-2-(4-phenethyl-1-piperidinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-methylpyridin-2-yl)-2-[2-oxo-2-(4-phenethylpiperidin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-(4-phenethylpiperidino)ethyl]thio]-3-(4-methyl-2-pyridyl)quinazolin-4-one Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)CCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O2S/c1-21-13-16-30-26(19-21)33-28(35)24-9-5-6-10-25(24)31-29(33)36-20-27(34)32-17-14-23(15-18-32)12-11-22-7-3-2-4-8-22/h2-10,13,16,19,23H,11-12,14-15,17-18,20H2,1H3