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

Systemtic Name: 2-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one Openeye Name: 2-[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one CAS Name: 2-[[(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]thio]-3-(2-methoxyethyl)-4-quinazolinone IUPAC Name: 2-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one Traditional Name: 2-[[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]thio]-3-(2-methoxyethyl)quinazolin-4-one Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCOC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CCOC

InChI

InChI=1S/C20H28N4O3S/c1-4-22-9-11-23(12-10-22)18(25)15(2)28-20-21-17-8-6-5-7-16(17)19(26)24(20)13-14-27-3/h5-8,15H,4,9-14H2,1-3H3/p+1/t15-/m0/s1