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

Systemtic Name: 3-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)quinazolin-4-one CAS Name: 3-(4-ethoxyphenyl)-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-ethoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-3-p-phenetyl-quinazolin-4-one Formula: C30H31N3O3S MolecularWeight: 513.65044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O3S/c1-2-36-25-14-12-24(13-15-25)33-29(35)26-10-6-7-11-27(26)31-30(33)37-21-28(34)32-18-16-23(17-19-32)20-22-8-4-3-5-9-22/h3-15,23H,2,16-21H2,1H3