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

Systemtic Name: 3-cyclopropyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-3-cyclopropyl-quinazolin-4-one CAS Name: 3-cyclopropyl-2-[[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 2-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanyl-3-cyclopropylquinazolin-4-one Traditional Name: 2-[[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]thio]-3-cyclopropyl-quinazolin-4-one Formula: C24H26N4O4S2 MolecularWeight: 498.61764

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C24H26N4O4S2/c29-22(26-12-14-27(15-13-26)34(31,32)17-18-6-2-1-3-7-18)16-33-24-25-21-9-5-4-8-20(21)23(30)28(24)19-10-11-19/h1-9,19H,10-17H2