3-azanyl-3-[3-(4-fluorophenyl)propyl]-4-oxidanylidene-1-pyridin-2-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide

Systemtic Name: 3-azanyl-3-[3-(4-fluorophenyl)propyl]-4-oxidanylidene-1-pyridin-2-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Openeye Name: 3-amino-3-[3-(4-fluorophenyl)propyl]-4-oxo-1-(2-pyridyl)-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide CAS Name: 3-amino-3-[3-(4-fluorophenyl)propyl]-4-oxo-1-(2-pyridinyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-2-piperazin-4-iumcarboxamide IUPAC Name: 3-amino-3-[3-(4-fluorophenyl)propyl]-4-oxo-1-pyridin-2-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Traditional Name: 3-amino-3-[3-(4-fluorophenyl)propyl]-4-keto-1-(2-pyridyl)-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Formula: C21H23FN7O2S2+ MolecularWeight: 488.581423

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=O)C(C(N1C2=CC=CC=N2)C(=O)NC3=NNC(=S)S3)(CCCC4=CC=C(C=C4)F)N

Isomeric SMILES

C1C[N+](=O)C(C(N1C2=CC=CC=N2)C(=O)NC3=NNC(=S)S3)(CCCC4=CC=C(C=C4)F)N

InChI

InChI=1S/C21H22FN7O2S2/c22-15-8-6-14(7-9-15)4-3-10-21(23)17(18(30)25-19-26-27-20(32)33-19)28(12-13-29(21)31)16-5-1-2-11-24-16/h1-2,5-9,11,17H,3-4,10,12-13,23H2,(H-,25,26,27,30,32)/p+1