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

Systemtic Name: N-(2-ethylphenyl)-2-[4-(phenethylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(phenethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(phenethylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(phenethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(phenethylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H31N4OS+ MolecularWeight: 411.58344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H30N4OS/c1-2-20-10-6-7-11-21(20)25-22(28)18-26-14-16-27(17-15-26)23(29)24-13-12-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3,(H,24,29)(H,25,28)/p+1