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

Systemtic Name: 2-[3-[3-[heptyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[3-[heptyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[3-[heptyl-[(hexylamino)-oxomethyl]amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[3-[heptyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[3-[heptyl(hexylcarbamoyl)amino]phenyl]thio]phenyl]acetic acid Formula: C28H40N2O3S MolecularWeight: 484.6938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O3S/c1-3-5-7-9-11-19-30(28(33)29-18-10-8-6-4-2)24-15-13-17-26(22-24)34-25-16-12-14-23(20-25)21-27(31)32/h12-17,20,22H,3-11,18-19,21H2,1-2H3,(H,29,33)(H,31,32)