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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[sulfanylidene-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C26H26F3N3O2S2 MolecularWeight: 533.62875

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C26H26F3N3O2S2/c1-3-34-24(33)22-21(18-8-5-4-6-9-18)17(2)36-23(22)30-25(35)32-14-12-31(13-15-32)20-11-7-10-19(16-20)26(27,28)29/h4-11,16H,3,12-15H2,1-2H3,(H,30,35)