2-[4-[4-[phenethylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[4-[4-[phenethylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[4-[phenethylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[4-[[oxo-(phenethylamino)methyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[4-[phenethylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[4-[phenethylcarbamoyl(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid Formula: C32H32N2O3S MolecularWeight: 524.67308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN(C2=CC=C(C=C2)SC3=CC=C(C=C3)CC(=O)O)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCN(C2=CC=C(C=C2)SC3=CC=C(C=C3)CC(=O)O)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C32H32N2O3S/c35-31(36)24-27-13-17-29(18-14-27)38-30-19-15-28(16-20-30)34(23-7-12-25-8-3-1-4-9-25)32(37)33-22-21-26-10-5-2-6-11-26/h1-6,8-11,13-20H,7,12,21-24H2,(H,33,37)(H,35,36)