3-[4-aminocarbonyl-6-phenyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-yl]thiophene-2-carboxylic acid

Systemtic Name: 3-[4-aminocarbonyl-6-phenyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-yl]thiophene-2-carboxylic acid Openeye Name: 3-[4-carbamoyl-6-phenyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-yl]thiophene-2-carboxylic acid CAS Name: 3-[4-carbamoyl-6-phenyl-1-[3-(trifluoromethyl)phenyl]-2-piperazinyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[4-carbamoyl-6-phenyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-yl]thiophene-2-carboxylic acid Traditional Name: 3-[4-carbamoyl-6-phenyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-yl]-2-thenoic acid Formula: C23H20F3N3O3S MolecularWeight: 475.48341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(CN1C(=O)N)C2=C(SC=C2)C(=O)O)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1C(N(C(CN1C(=O)N)C2=C(SC=C2)C(=O)O)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4

InChI

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