2-[2-[[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]amino]phenyl]sulfanylethanamide

Systemtic Name: 2-[2-[[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]amino]phenyl]sulfanylethanamide Openeye Name: 2-[2-[[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]amino]phenyl]sulfanylacetamide CAS Name: 2-[[2-[[(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]amino]phenyl]thio]acetamide IUPAC Name: 2-[2-[[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide Traditional Name: 2-[[2-[[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]amino]phenyl]thio]acetamide Formula: C17H27N4O2S+ MolecularWeight: 351.48688

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)NC2=CC=CC=C2SCC(=O)N

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)NC2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C17H26N4O2S/c1-3-20-8-10-21(11-9-20)17(23)13(2)19-14-6-4-5-7-15(14)24-12-16(18)22/h4-7,13,19H,3,8-12H2,1-2H3,(H2,18,22)/p+1/t13-/m0/s1