2-[4-[4-[phenylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[4-[4-[phenylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[4-[phenylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[4-[[anilino(oxo)methyl]-(1-phenylethyl)amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[4-[phenylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[4-[phenylcarbamoyl(1-phenylethyl)amino]phenyl]thio]phenyl]acetic acid Formula: C29H26N2O3S MolecularWeight: 482.59334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26N2O3S/c1-21(23-8-4-2-5-9-23)31(29(34)30-24-10-6-3-7-11-24)25-14-18-27(19-15-25)35-26-16-12-22(13-17-26)20-28(32)33/h2-19,21H,20H2,1H3,(H,30,34)(H,32,33)