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

Systemtic Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-benzyl-2-[[2-keto-2-(4-tosylpiperazino)ethyl]thio]quinazolin-4-one Formula: C28H28N4O4S2 MolecularWeight: 548.67632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O4S2/c1-21-11-13-23(14-12-21)38(35,36)31-17-15-30(16-18-31)26(33)20-37-28-29-25-10-6-5-9-24(25)27(34)32(28)19-22-7-3-2-4-8-22/h2-14H,15-20H2,1H3