2-[3-[4-[butylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[3-[4-[butylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[4-[butylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[4-[[butylamino(oxo)methyl]-phenethylamino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[4-[butylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[4-[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=C(C=C2)SC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

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

InChI

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