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

Systemtic Name: 2-[3-[3-[butyl(butylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[3-[butyl(butylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[3-[butyl-[butylamino(oxo)methyl]amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[3-[butyl(butylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[3-[butyl(butylcarbamoyl)amino]phenyl]thio]phenyl]acetic acid Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CCCC)C1=CC(=CC=C1)SC2=CC=CC(=C2)CC(=O)O

Isomeric SMILES

CCCCNC(=O)N(CCCC)C1=CC(=CC=C1)SC2=CC=CC(=C2)CC(=O)O

InChI

InChI=1S/C23H30N2O3S/c1-3-5-13-24-23(28)25(14-6-4-2)19-10-8-12-21(17-19)29-20-11-7-9-18(15-20)16-22(26)27/h7-12,15,17H,3-6,13-14,16H2,1-2H3,(H,24,28)(H,26,27)