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

Systemtic Name: [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-[[4-(4-fluorophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-[[4-(4-fluorophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-[[4-(4-fluorophenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C17H20FN4OS3+ MolecularWeight: 411.560303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H19FN4OS3/c1-21-6-8-22(9-7-21)17(24)26-11-15(23)20-16-19-14(10-25-16)12-2-4-13(18)5-3-12/h2-5,10H,6-9,11H2,1H3,(H,19,20,23)/p+1