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

Systemtic Name: 2-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-propan-2-yl-quinazolin-4-one Openeye Name: 2-[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-isopropyl-quinazolin-4-one CAS Name: 2-[[(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]thio]-3-propan-2-yl-4-quinazolinone IUPAC Name: 2-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one Traditional Name: 2-[[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]thio]-3-isopropyl-quinazolin-4-one Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2C(C)C

InChI

InChI=1S/C20H28N4O2S/c1-5-22-10-12-23(13-11-22)18(25)15(4)27-20-21-17-9-7-6-8-16(17)19(26)24(20)14(2)3/h6-9,14-15H,5,10-13H2,1-4H3/p+1/t15-/m0/s1