2-[4-[3-[heptyl(heptylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[4-[3-[heptyl(heptylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-[heptyl(heptylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-[heptyl-[(heptylamino)-oxomethyl]amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-[heptyl(heptylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-[heptyl(heptylcarbamoyl)amino]phenyl]thio]phenyl]acetic acid Formula: C29H42N2O3S MolecularWeight: 498.72038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(CCCCCCC)C1=CC(=CC=C1)SC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

CCCCCCCNC(=O)N(CCCCCCC)C1=CC(=CC=C1)SC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C29H42N2O3S/c1-3-5-7-9-11-20-30-29(34)31(21-12-10-8-6-4-2)25-14-13-15-27(23-25)35-26-18-16-24(17-19-26)22-28(32)33/h13-19,23H,3-12,20-22H2,1-2H3,(H,30,34)(H,32,33)