3-[(4-methylphenyl)methyl]-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(4-methylphenyl)methyl]-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(p-tolylmethyl)quinazolin-4-one CAS Name: 3-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-[(4-methylphenyl)methyl]quinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-3-(4-methylbenzyl)quinazolin-4-one Formula: C30H31N3O2S MolecularWeight: 497.65104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O2S/c1-22-11-13-25(14-12-22)20-33-29(35)26-9-5-6-10-27(26)31-30(33)36-21-28(34)32-17-15-24(16-18-32)19-23-7-3-2-4-8-23/h2-14,24H,15-21H2,1H3