[2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate

Systemtic Name: [2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate Openeye Name: [2-(2,4-difluoroanilino)-2-oxo-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazin-4-iumcarboximidothioic acid [2-(2,4-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-difluoroanilino)-2-oxoethyl] 4-methyl-N-phenylpiperazin-4-ium-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioic acid [2-(2,4-difluoroanilino)-2-keto-ethyl] ester Formula: C20H23F2N4OS+ MolecularWeight: 405.484626

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3)F)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C20H22F2N4OS/c1-25-9-11-26(12-10-25)20(23-16-5-3-2-4-6-16)28-14-19(27)24-18-8-7-15(21)13-17(18)22/h2-8,13H,9-12,14H2,1H3,(H,24,27)/p+1