2-[4-(ethylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-(ethylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-(ethylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[ethylamino(sulfanylidene)methyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-(ethylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(ethylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C17H27N4OS+ MolecularWeight: 335.48748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NCC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NCC

InChI

InChI=1S/C17H26N4OS/c1-3-14-7-5-6-8-15(14)19-16(22)13-20-9-11-21(12-10-20)17(23)18-4-2/h5-8H,3-4,9-13H2,1-2H3,(H,18,23)(H,19,22)/p+1