N-(2,6-dimethylphenyl)-2-[4-[(3,5-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(3,5-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(3,5-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(3,5-dimethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(3,5-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[(3,5-dimethylphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H31N4OS+ MolecularWeight: 411.58344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC(=CC(=C3)C)C

InChI

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