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

Systemtic Name: 2-[4-[3-[phenethylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-[phenethylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-[[oxo-(phenethylamino)methyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-[phenethylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-[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(=CC=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(=CC=C2)SC3=CC=C(C=C3)CC(=O)O)C(=O)NCCC4=CC=CC=C4

InChI

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