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

Systemtic Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-quinazolin-4-one Openeye Name: 2-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-1H-quinazolin-4-one CAS Name: 2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-1H-quinazolin-4-one IUPAC Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-1H-quinazolin-4-one Traditional Name: 2-[[2-keto-2-(4-tosylpiperazino)ethyl]thio]-1H-quinazolin-4-one Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC(=O)C4=CC=CC=C4N3

InChI

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