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

Systemtic Name: 2-[3-[4-[butylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[4-[butylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[4-[[butylamino(oxo)methyl]-heptylamino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[4-[butylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[4-[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=C(C=C1)SC2=CC=CC(=C2)CC(=O)O)C(=O)NCCCC

Isomeric SMILES

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

InChI

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