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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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