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

Systemtic Name: 2-[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-benzyl-2-[[2-keto-2-(4-piperidinosulfonylphenyl)ethyl]thio]quinazolin-4-one Formula: C28H27N3O4S2 MolecularWeight: 533.66168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O4S2/c32-26(22-13-15-23(16-14-22)37(34,35)30-17-7-2-8-18-30)20-36-28-29-25-12-6-5-11-24(25)27(33)31(28)19-21-9-3-1-4-10-21/h1,3-6,9-16H,2,7-8,17-20H2