2-[4-(butylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide

Systemtic Name: 2-[4-(butylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide Openeye Name: 2-[4-(butylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide CAS Name: 2-[4-[butylamino(sulfanylidene)methyl]-1-piperazin-1-iumyl]-N-(2-chlorophenyl)acetamide IUPAC Name: 2-[4-(butylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Traditional Name: 2-[4-(butylthiocarbamoyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Formula: C17H26ClN4OS+ MolecularWeight: 369.93254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

CCCCNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C17H25ClN4OS/c1-2-3-8-19-17(24)22-11-9-21(10-12-22)13-16(23)20-15-7-5-4-6-14(15)18/h4-7H,2-3,8-13H2,1H3,(H,19,24)(H,20,23)/p+1