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

Systemtic Name: N-tert-butyl-2-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(2-fluoroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(2-fluorophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C17H26FN4OS+ MolecularWeight: 353.477943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25FN4OS/c1-17(2,3)20-15(23)12-21-8-10-22(11-9-21)16(24)19-14-7-5-4-6-13(14)18/h4-7H,8-12H2,1-3H3,(H,19,24)(H,20,23)/p+1