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

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(2-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[(2-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(2-ethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(2-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[(2-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=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3CC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3CC

InChI

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