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

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

Isomeric SMILES

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

InChI

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