methyl 4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[sulfanylidene-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C20H20F3N3O2S MolecularWeight: 423.45191

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H20F3N3O2S/c1-28-18(27)14-5-7-16(8-6-14)24-19(29)26-11-9-25(10-12-26)17-4-2-3-15(13-17)20(21,22)23/h2-8,13H,9-12H2,1H3,(H,24,29)