2-[4-[(2,5-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-[(2,5-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[(2,5-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[(2,5-dimethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[(2,5-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[(2,5-dimethylphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)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=C(C=CC(=C3)C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C)C

InChI

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