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

Systemtic Name: 2-[4-[(2,3-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[4-[(2,3-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide CAS Name: 2-[4-[(2,3-dimethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[4-[(2,3-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Traditional Name: 2-[4-[(2,3-dimethylphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Formula: C18H29N4O2S+ MolecularWeight: 365.51346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O2S/c1-14-5-4-6-16(15(14)2)20-18(25)22-10-8-21(9-11-22)13-17(23)19-7-12-24-3/h4-6H,7-13H2,1-3H3,(H,19,23)(H,20,25)/p+1