2-[3-[3-[butylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CCC1=CC=CC=C1)C2=CC(=CC=C2)SC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CCCCNC(=O)N(CCC1=CC=CC=C1)C2=CC(=CC=C2)SC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C27H30N2O3S/c1-2-3-16-28-27(32)29(17-15-21-9-5-4-6-10-21)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)