[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(3-fluoroanilino)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-(3-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoroanilino)-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-(3-fluoroanilino)-2-keto-ethyl] ester Formula: C14H19FN3OS2+ MolecularWeight: 328.448563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C14H18FN3OS2/c1-17-5-7-18(8-6-17)14(20)21-10-13(19)16-12-4-2-3-11(15)9-12/h2-4,9H,5-8,10H2,1H3,(H,16,19)/p+1