2-[3-[4-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[3-[4-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[4-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[4-[butyl-[(cyclohexylamino)-oxomethyl]amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[4-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[4-[butyl(cyclohexylcarbamoyl)amino]phenyl]thio]phenyl]acetic acid Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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