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

Systemtic Name: 2-[4-[(2,5-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-[(2,5-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[(2,5-dimethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-[(2,5-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-[(2,5-dimethylphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C19H31N4O2S+ MolecularWeight: 379.54004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O2S/c1-15-5-6-16(2)17(13-15)21-19(26)23-10-8-22(9-11-23)14-18(24)20-7-4-12-25-3/h5-6,13H,4,7-12,14H2,1-3H3,(H,20,24)(H,21,26)/p+1