2-[3-[3-[heptyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[3-[3-[heptyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[3-[heptyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[3-[heptyl-[oxo-(phenethylamino)methyl]amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[3-[heptyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[3-[heptyl(phenethylcarbamoyl)amino]phenyl]thio]phenyl]acetic acid Formula: C30H36N2O3S MolecularWeight: 504.68344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)CC(=O)O)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)CC(=O)O)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C30H36N2O3S/c1-2-3-4-5-9-20-32(30(35)31-19-18-24-12-7-6-8-13-24)26-15-11-17-28(23-26)36-27-16-10-14-25(21-27)22-29(33)34/h6-8,10-17,21,23H,2-5,9,18-20,22H2,1H3,(H,31,35)(H,33,34)