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

Systemtic Name: 3-cyclopentyl-2-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-cyclopentyl-2-[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-cyclopentyl-2-[[(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-cyclopentyl-2-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-cyclopentyl-2-[[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]thio]quinazolin-4-one Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C22H30N4O2S/c1-3-24-12-14-25(15-13-24)20(27)16(2)29-22-23-19-11-7-6-10-18(19)21(28)26(22)17-8-4-5-9-17/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3/p+1/t16-/m0/s1