ethyl 4-[[2-(trifluoromethyl)phenyl]carbamothioylhydrazinylidene]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(trifluoromethyl)phenyl]carbamothioylhydrazinylidene]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(trifluoromethyl)phenyl]carbamothioylhydrazono]piperidine-1-carboxylate CAS Name: 4-[[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]hydrazinylidene]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(trifluoromethyl)phenyl]carbamothioylhydrazinylidene]piperidine-1-carboxylate Traditional Name: 4-[[2-(trifluoromethyl)phenyl]thiocarbamoylhydrazono]piperidine-1-carboxylic acid ethyl ester Formula: C16H19F3N4O2S MolecularWeight: 388.40787

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(=NNC(=S)NC2=CC=CC=C2C(F)(F)F)CC1

Isomeric SMILES

CCOC(=O)N1CCC(=NNC(=S)NC2=CC=CC=C2C(F)(F)F)CC1

InChI

InChI=1S/C16H19F3N4O2S/c1-2-25-15(24)23-9-7-11(8-10-23)21-22-14(26)20-13-6-4-3-5-12(13)16(17,18)19/h3-6H,2,7-10H2,1H3,(H2,20,22,26)