3-cyclohexyl-2-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-cyclohexyl-2-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-cyclohexyl-2-[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-cyclohexyl-2-[[(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-cyclohexyl-2-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-cyclohexyl-2-[[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]thio]quinazolin-4-one Formula: C23H33N4O2S+ MolecularWeight: 429.59872

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4

InChI

InChI=1S/C23H32N4O2S/c1-3-25-13-15-26(16-14-25)21(28)17(2)30-23-24-20-12-8-7-11-19(20)22(29)27(23)18-9-5-4-6-10-18/h7-8,11-12,17-18H,3-6,9-10,13-16H2,1-2H3/p+1/t17-/m0/s1