3-methyl-2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-methyl-2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-methyl-quinazolin-4-one CAS Name: 2-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]thio]-3-methyl-4-quinazolinone IUPAC Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one Traditional Name: 2-[[2-(4-besylpiperazino)-2-keto-ethyl]thio]-3-methyl-quinazolin-4-one Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O4S2/c1-23-20(27)17-9-5-6-10-18(17)22-21(23)30-15-19(26)24-11-13-25(14-12-24)31(28,29)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3