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

Systemtic Name: 2-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[(2-fluoroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-[(2-fluorophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C17H26FN4O2S+ MolecularWeight: 369.477343

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC=CC=C2F

Isomeric SMILES

COCCCNC(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC=CC=C2F

InChI

InChI=1S/C17H25FN4O2S/c1-24-12-4-7-19-16(23)13-21-8-10-22(11-9-21)17(25)20-15-6-3-2-5-14(15)18/h2-3,5-6H,4,7-13H2,1H3,(H,19,23)(H,20,25)/p+1