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

Systemtic Name: 7-chloranyl-3-cyclohexyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 7-chloro-3-cyclohexyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-3-cyclohexyl-2-[[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 7-chloro-3-cyclohexyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 7-chloro-3-cyclohexyl-2-[[2-keto-2-(4-mesylpiperazino)ethyl]thio]quinazolin-4-one Formula: C21H27ClN4O4S2 MolecularWeight: 499.04648

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4CCCCC4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4CCCCC4

InChI

InChI=1S/C21H27ClN4O4S2/c1-32(29,30)25-11-9-24(10-12-25)19(27)14-31-21-23-18-13-15(22)7-8-17(18)20(28)26(21)16-5-3-2-4-6-16/h7-8,13,16H,2-6,9-12,14H2,1H3