2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)ethanamide Openeye Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-N-(m-tolyl)acetamide CAS Name: 2-[[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]thio]-N-(m-tolyl)acetamide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CSCC(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CSCC(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C17H25N3O2S/c1-3-19-7-9-20(10-8-19)17(22)13-23-12-16(21)18-15-6-4-5-14(2)11-15/h4-6,11H,3,7-10,12-13H2,1-2H3,(H,18,21)/p+1