N-(2-methylsulfanylphenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-methylsulfanylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(methylthio)phenyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylsulfanylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(methylthio)phenyl]-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H22N3O2S2+ MolecularWeight: 376.51618

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H21N3O2S2/c1-24-15-6-3-2-5-14(15)19-17(22)13-20-8-10-21(11-9-20)18(23)16-7-4-12-25-16/h2-7,12H,8-11,13H2,1H3,(H,19,22)/p+1