2-[3-[4-[hexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[3-[4-[hexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[4-[hexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[4-[[(hexylamino)-oxomethyl]-phenethylamino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[4-[hexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[4-[hexylcarbamoyl(phenethyl)amino]phenyl]thio]phenyl]acetic acid Formula: C29H34N2O3S MolecularWeight: 490.65686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N(CCC1=CC=CC=C1)C2=CC=C(C=C2)SC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CCCCCCNC(=O)N(CCC1=CC=CC=C1)C2=CC=C(C=C2)SC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C29H34N2O3S/c1-2-3-4-8-19-30-29(34)31(20-18-23-10-6-5-7-11-23)25-14-16-26(17-15-25)35-27-13-9-12-24(21-27)22-28(32)33/h5-7,9-17,21H,2-4,8,18-20,22H2,1H3,(H,30,34)(H,32,33)