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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(2,3-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(2,3-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(2,3-dimethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(2,3-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[(2,3-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)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C)C

InChI

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