ethyl 5-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[sulfanylidene-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C25H24F3N3O2S2 MolecularWeight: 519.60217

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C25H24F3N3O2S2/c1-2-33-23(32)20-16-21(17-7-4-3-5-8-17)35-22(20)29-24(34)31-13-11-30(12-14-31)19-10-6-9-18(15-19)25(26,27)28/h3-10,15-16H,2,11-14H2,1H3,(H,29,34)