methyl 2-[3-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[3-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-2-yl]ethanoate Openeye Name: methyl 2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[3-(trifluoromethyl)phenyl]thiocarbamoyl]piperazin-2-yl]acetic acid methyl ester Formula: C15H16F3N3O3S MolecularWeight: 375.36605

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C15H16F3N3O3S/c1-24-12(22)8-11-13(23)19-5-6-21(11)14(25)20-10-4-2-3-9(7-10)15(16,17)18/h2-4,7,11H,5-6,8H2,1H3,(H,19,23)(H,20,25)