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

Systemtic Name: N-cyclopropyl-2-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[(2-fluoroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[(2-fluorophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C16H22FN4OS+ MolecularWeight: 337.435483

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3F

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C16H21FN4OS/c17-13-3-1-2-4-14(13)19-16(23)21-9-7-20(8-10-21)11-15(22)18-12-5-6-12/h1-4,12H,5-11H2,(H,18,22)(H,19,23)/p+1