N-(2-ethylphenyl)-2-[4-[(3-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(3-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[(3-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(3-ethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(3-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[(3-ethylphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H31N4OS+ MolecularWeight: 411.58344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3CC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3CC

InChI

InChI=1S/C23H30N4OS/c1-3-18-8-7-10-20(16-18)24-23(29)27-14-12-26(13-15-27)17-22(28)25-21-11-6-5-9-19(21)4-2/h5-11,16H,3-4,12-15,17H2,1-2H3,(H,24,29)(H,25,28)/p+1