[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazinecarboximidothioic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-methyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazine-1-carboximidothioic acid [2-keto-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C21H23F3N4OS MolecularWeight: 436.49373

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N4OS/c1-27-10-12-28(13-11-27)20(26-17-7-3-2-4-8-17)30-15-19(29)25-18-9-5-6-16(14-18)21(22,23)24/h2-9,14H,10-13,15H2,1H3,(H,25,29)