2-[4-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: 2-[4-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: 2-[4-[(3-fluoro-4-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: 2-[4-[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: 2-[4-[(3-fluoro-4-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: 2-[4-[(3-fluoro-4-methyl-phenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C15H22FN4OS+ MolecularWeight: 325.424783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC)F

InChI

InChI=1S/C15H21FN4OS/c1-11-3-4-12(9-13(11)16)18-15(22)20-7-5-19(6-8-20)10-14(21)17-2/h3-4,9H,5-8,10H2,1-2H3,(H,17,21)(H,18,22)/p+1