2-[4-[[(2S)-2-ethylhexyl]carbamothioyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-[[(2S)-2-ethylhexyl]carbamothioyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[[(2S)-2-ethylhexyl]carbamothioyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[[[(2S)-2-ethylhexyl]amino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[[(2S)-2-ethylhexyl]carbamothioyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[[(2S)-2-ethylhexyl]thiocarbamoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C23H39N4OS+ MolecularWeight: 419.64696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2CC

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2CC

InChI

InChI=1S/C23H38N4OS/c1-4-7-10-19(5-2)17-24-23(29)27-15-13-26(14-16-27)18-22(28)25-21-12-9-8-11-20(21)6-3/h8-9,11-12,19H,4-7,10,13-18H2,1-3H3,(H,24,29)(H,25,28)/p+1/t19-/m0/s1