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

Systemtic Name: 2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-[(4-fluorobenzyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C18H28FN4O2S+ MolecularWeight: 383.503923

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C[NH+]1CCN(CC1)C(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

COCCCNC(=O)C[NH+]1CCN(CC1)C(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H27FN4O2S/c1-25-12-2-7-20-17(24)14-22-8-10-23(11-9-22)18(26)21-13-15-3-5-16(19)6-4-15/h3-6H,2,7-14H2,1H3,(H,20,24)(H,21,26)/p+1