3-[(4-methylphenyl)methyl]-2-[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(4-methylphenyl)methyl]-2-[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 2-[1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(p-tolylmethyl)quinazolin-4-one CAS Name: 3-[(4-methylphenyl)methyl]-2-[[1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-[(4-methylphenyl)methyl]-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-1-methyl-2-(4-methylpiperidino)ethyl]thio]-3-(4-methylbenzyl)quinazolin-4-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)C

InChI

InChI=1S/C25H29N3O2S/c1-17-8-10-20(11-9-17)16-28-24(30)21-6-4-5-7-22(21)26-25(28)31-19(3)23(29)27-14-12-18(2)13-15-27/h4-11,18-19H,12-16H2,1-3H3