2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[(4-methylphenyl)methyl]quinazolin-4-one

Systemtic Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[(4-methylphenyl)methyl]quinazolin-4-one Openeye Name: 2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(p-tolylmethyl)quinazolin-4-one CAS Name: 2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-3-[(4-methylphenyl)methyl]-4-quinazolinone IUPAC Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-[(4-methylphenyl)methyl]quinazolin-4-one Traditional Name: 2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-3-(4-methylbenzyl)quinazolin-4-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)C)C

InChI

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