N-(4-fluorophenyl)-2-[4-(furan-2-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-(furan-2-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(2-furylmethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[(2-furanylmethylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(furan-2-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-(2-furfurylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H22FN4O2S+ MolecularWeight: 377.456283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=S)NCC3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C18H21FN4O2S/c19-14-3-5-15(6-4-14)21-17(24)13-22-7-9-23(10-8-22)18(26)20-12-16-2-1-11-25-16/h1-6,11H,7-10,12-13H2,(H,20,26)(H,21,24)/p+1