[3-[4-[heptyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate

Systemtic Name: [3-[4-[heptyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[4-[heptyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[4-[heptyl-[oxo-(phenethylamino)methyl]amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[4-[heptyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[4-[heptyl(phenethylcarbamoyl)amino]phenyl]thio]phenyl] ester Formula: C32H40N2O3S MolecularWeight: 532.7366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H40N2O3S/c1-3-5-6-7-11-24-34(32(36)33-23-22-26-14-9-8-10-15-26)27-18-20-29(21-19-27)38-30-17-12-16-28(25-30)37-31(35)13-4-2/h8-10,12,14-21,25H,3-7,11,13,22-24H2,1-2H3,(H,33,36)