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

Systemtic Name: 2-[3-[3-[butylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[3-[butylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[3-[[butylamino(oxo)methyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[3-[butylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[3-[butylcarbamoyl(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CCCC1=CC=CC=C1)C2=CC(=CC=C2)SC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CCCCNC(=O)N(CCCC1=CC=CC=C1)C2=CC(=CC=C2)SC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C28H32N2O3S/c1-2-3-17-29-28(33)30(18-9-13-22-10-5-4-6-11-22)24-14-8-16-26(21-24)34-25-15-7-12-23(19-25)20-27(31)32/h4-8,10-12,14-16,19,21H,2-3,9,13,17-18,20H2,1H3,(H,29,33)(H,31,32)