5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylamino]thiophene-2-carboxylic acid Openeye Name: 5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylic acid CAS Name: 3-[[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylic acid Traditional Name: 5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]-2-thenoic acid Formula: C23H20F3N3O3S MolecularWeight: 475.48341

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H20F3N3O3S/c24-23(25,26)16-7-4-8-17(13-16)28-9-11-29(12-10-28)22(32)27-18-14-19(33-20(18)21(30)31)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,27,32)(H,30,31)