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

Systemtic Name: 2-[3-[4-[butyl(butylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[4-[butyl(butylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[4-[butyl-[butylamino(oxo)methyl]amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[4-[butyl(butylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[4-[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=C(C=C1)SC2=CC=CC(=C2)CC(=O)O

Isomeric SMILES

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

InChI

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