2-[4-(butylcarbamothioyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(butylcarbamothioyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(butylcarbamothioyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[butylamino(sulfanylidene)methyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(butylcarbamothioyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(butylthiocarbamoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C17H26FN4OS+ MolecularWeight: 353.477943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

CCCCNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C17H25FN4OS/c1-2-3-7-19-17(24)22-10-8-21(9-11-22)13-16(23)20-15-6-4-5-14(18)12-15/h4-6,12H,2-3,7-11,13H2,1H3,(H,19,24)(H,20,23)/p+1