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

Systemtic Name: 2-[3-[3-[butylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[3-[butylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[3-[[butylamino(oxo)methyl]-heptylamino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[3-[butylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[3-[butylcarbamoyl(heptyl)amino]phenyl]thio]phenyl]acetic acid Formula: C26H36N2O3S MolecularWeight: 456.64064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)CC(=O)O)C(=O)NCCCC

Isomeric SMILES

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)CC(=O)O)C(=O)NCCCC

InChI

InChI=1S/C26H36N2O3S/c1-3-5-7-8-9-17-28(26(31)27-16-6-4-2)22-13-11-15-24(20-22)32-23-14-10-12-21(18-23)19-25(29)30/h10-15,18,20H,3-9,16-17,19H2,1-2H3,(H,27,31)(H,29,30)