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

Systemtic Name: N-cyclopropyl-2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[(4-fluorophenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[(4-fluorobenzyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C17H24FN4OS+ MolecularWeight: 351.462063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H23FN4OS/c18-14-3-1-13(2-4-14)11-19-17(24)22-9-7-21(8-10-22)12-16(23)20-15-5-6-15/h1-4,15H,5-12H2,(H,19,24)(H,20,23)/p+1