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

Systemtic Name: ethyl 4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[sulfanylidene-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C21H22F3N3O2S MolecularWeight: 437.47849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22F3N3O2S/c1-2-29-19(28)15-6-8-17(9-7-15)25-20(30)27-12-10-26(11-13-27)18-5-3-4-16(14-18)21(22,23)24/h3-9,14H,2,10-13H2,1H3,(H,25,30)