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

Systemtic Name: 2-[4-[3-[butyl(pentylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-[butyl(pentylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-[butyl-[oxo-(pentylamino)methyl]amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-[butyl(pentylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-[amylcarbamoyl(butyl)amino]phenyl]thio]phenyl]acetic acid Formula: C24H32N2O3S MolecularWeight: 428.58748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O3S/c1-3-5-7-15-25-24(29)26(16-6-4-2)20-9-8-10-22(18-20)30-21-13-11-19(12-14-21)17-23(27)28/h8-14,18H,3-7,15-17H2,1-2H3,(H,25,29)(H,27,28)