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

Systemtic Name: 2-[4-[3-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-[butyl-[(cyclohexylamino)-oxomethyl]amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-[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(=CC=C1)SC2=CC=C(C=C2)CC(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

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

InChI

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