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

Systemtic Name: 2-[3-[3-[butyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[3-[butyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[3-[butyl-[(hexylamino)-oxomethyl]amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[3-[butyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[3-[butyl(hexylcarbamoyl)amino]phenyl]thio]phenyl]acetic acid Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N(CCCC)C1=CC(=CC=C1)SC2=CC=CC(=C2)CC(=O)O

Isomeric SMILES

CCCCCCNC(=O)N(CCCC)C1=CC(=CC=C1)SC2=CC=CC(=C2)CC(=O)O

InChI

InChI=1S/C25H34N2O3S/c1-3-5-7-8-15-26-25(30)27(16-6-4-2)21-12-10-14-23(19-21)31-22-13-9-11-20(17-22)18-24(28)29/h9-14,17,19H,3-8,15-16,18H2,1-2H3,(H,26,30)(H,28,29)