2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-4-one

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-4-one Openeye Name: 3-benzyl-2-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-6-(1-piperidyl)quinazolin-4-one CAS Name: 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-3-(phenylmethyl)-6-(1-piperidinyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-6-piperidin-1-ylquinazolin-4-one Traditional Name: 3-benzyl-2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-6-piperidino-quinazolin-4-one Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)C5=CC(=C(C=C5)O)O

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)C5=CC(=C(C=C5)O)O

InChI

InChI=1S/C28H27N3O4S/c32-24-12-9-20(15-25(24)33)26(34)18-36-28-29-23-11-10-21(30-13-5-2-6-14-30)16-22(23)27(35)31(28)17-19-7-3-1-4-8-19/h1,3-4,7-12,15-16,32-33H,2,5-6,13-14,17-18H2