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

Systemtic Name: 2-[4-[4-[pentylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[4-[pentylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[4-[[oxo-(pentylamino)methyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[4-[pentylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[4-[amylcarbamoyl(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid Formula: C29H34N2O3S MolecularWeight: 490.65686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)N(CCCC1=CC=CC=C1)C2=CC=C(C=C2)SC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CCCCCNC(=O)N(CCCC1=CC=CC=C1)C2=CC=C(C=C2)SC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C29H34N2O3S/c1-2-3-7-20-30-29(34)31(21-8-11-23-9-5-4-6-10-23)25-14-18-27(19-15-25)35-26-16-12-24(13-17-26)22-28(32)33/h4-6,9-10,12-19H,2-3,7-8,11,20-22H2,1H3,(H,30,34)(H,32,33)