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

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

InChI

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