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

Systemtic Name: N-(2-chlorophenyl)-2-[4-[[(2S)-2-ethylhexyl]carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[[(2S)-2-ethylhexyl]carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[[[(2S)-2-ethylhexyl]amino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[[(2S)-2-ethylhexyl]carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[[(2S)-2-ethylhexyl]thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H34ClN4OS+ MolecularWeight: 426.03886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C21H33ClN4OS/c1-3-5-8-17(4-2)15-23-21(28)26-13-11-25(12-14-26)16-20(27)24-19-10-7-6-9-18(19)22/h6-7,9-10,17H,3-5,8,11-16H2,1-2H3,(H,23,28)(H,24,27)/p+1/t17-/m0/s1