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

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

Isomeric SMILES

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

InChI

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