N-(2,3-dimethylphenyl)-2-[4-[[(2S)-2-ethylhexyl]carbamothioyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[[(2S)-2-ethylhexyl]carbamothioyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[[(2S)-2-ethylhexyl]carbamothioyl]piperazin-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[[[(2S)-2-ethylhexyl]amino]-sulfanylidenemethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[[(2S)-2-ethylhexyl]carbamothioyl]piperazin-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[[(2S)-2-ethylhexyl]thiocarbamoyl]piperazino]acetamide Formula: C23H38N4OS MolecularWeight: 418.63902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)N1CCN(CC1)CC(=O)NC2=CC=CC(=C2C)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)N1CCN(CC1)CC(=O)NC2=CC=CC(=C2C)C

InChI

InChI=1S/C23H38N4OS/c1-5-7-10-20(6-2)16-24-23(29)27-14-12-26(13-15-27)17-22(28)25-21-11-8-9-18(3)19(21)4/h8-9,11,20H,5-7,10,12-17H2,1-4H3,(H,24,29)(H,25,28)/t20-/m0/s1