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

Systemtic Name: 2-[3-[3-[butyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[3-[butyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[3-[butyl-[oxo-(phenethylamino)methyl]amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[3-[butyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[3-[butyl(phenethylcarbamoyl)amino]phenyl]thio]phenyl]acetic acid Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)CC(=O)O)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)CC(=O)O)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C27H30N2O3S/c1-2-3-17-29(27(32)28-16-15-21-9-5-4-6-10-21)23-12-8-14-25(20-23)33-24-13-7-11-22(18-24)19-26(30)31/h4-14,18,20H,2-3,15-17,19H2,1H3,(H,28,32)(H,30,31)