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

Systemtic Name: 2-[3-[3-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[3-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[3-[butyl-[(cyclohexylamino)-oxomethyl]amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[3-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[3-[butyl(cyclohexylcarbamoyl)amino]phenyl]thio]phenyl]acetic acid Formula: C25H32N2O3S MolecularWeight: 440.59818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)CC(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)CC(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C25H32N2O3S/c1-2-3-15-27(25(30)26-20-10-5-4-6-11-20)21-12-8-14-23(18-21)31-22-13-7-9-19(16-22)17-24(28)29/h7-9,12-14,16,18,20H,2-6,10-11,15,17H2,1H3,(H,26,30)(H,28,29)