3-cyclohexyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-cyclohexyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-cyclohexyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-cyclohexyl-2-[[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-cyclohexyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-cyclohexyl-2-[[2-keto-2-(4-mesylpiperazino)ethyl]thio]quinazolin-4-one Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4

InChI

InChI=1S/C21H28N4O4S2/c1-31(28,29)24-13-11-23(12-14-24)19(26)15-30-21-22-18-10-6-5-9-17(18)20(27)25(21)16-7-3-2-4-8-16/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3