2-[4-[3-[phenethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[4-[3-[phenethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-[phenethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-[[oxo-[4-(trifluoromethyl)anilino]methyl]-phenethylamino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-[phenethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-[phenethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]phenyl]thio]phenyl]acetic acid Formula: C30H25F3N2O3S MolecularWeight: 550.59131

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(C2=CC(=CC=C2)SC3=CC=C(C=C3)CC(=O)O)C(=O)NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCN(C2=CC(=CC=C2)SC3=CC=C(C=C3)CC(=O)O)C(=O)NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C30H25F3N2O3S/c31-30(32,33)23-11-13-24(14-12-23)34-29(38)35(18-17-21-5-2-1-3-6-21)25-7-4-8-27(20-25)39-26-15-9-22(10-16-26)19-28(36)37/h1-16,20H,17-19H2,(H,34,38)(H,36,37)