4-[2-[[(4R)-1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methylideneamino]ethyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-[[(4R)-1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methylideneamino]ethyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-[[(4R)-1-(4-fluorophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyleneamino]ethyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-[[(4R)-1-(4-fluorophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methylideneamino]ethyl]-N-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-[[(4R)-1-(4-fluorophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methylideneamino]ethyl]-N-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-[[(4R)-1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-yl]methyleneamino]ethyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C28H36FN6OS+ MolecularWeight: 523.688443

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1C=NCC[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCC1=NN(C(=O)[C@@H]1C=NCC[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H35FN6OS/c1-2-6-26-25(27(36)35(32-26)24-11-9-23(29)10-12-24)21-30-15-16-33-17-19-34(20-18-33)28(37)31-14-13-22-7-4-3-5-8-22/h3-5,7-12,21,25H,2,6,13-20H2,1H3,(H,31,37)/p+1/t25-/m1/s1