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

Systemtic Name: 2-[4-[3-[phenethyl(phenylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-[phenethyl(phenylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-[[anilino(oxo)methyl]-phenethylamino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-[phenethyl(phenylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-[phenethyl(phenylcarbamoyl)amino]phenyl]thio]phenyl]acetic acid Formula: C29H26N2O3S MolecularWeight: 482.59334

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H26N2O3S/c32-28(33)20-23-14-16-26(17-15-23)35-27-13-7-12-25(21-27)31(19-18-22-8-3-1-4-9-22)29(34)30-24-10-5-2-6-11-24/h1-17,21H,18-20H2,(H,30,34)(H,32,33)