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

Systemtic Name: [3-[4-[phenethylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[4-[phenethylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[4-[[oxo-(phenethylamino)methyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[4-[phenethylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[4-[phenethylcarbamoyl(3-phenylpropyl)amino]phenyl]thio]phenyl] ester Formula: C34H36N2O3S MolecularWeight: 552.72624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC(=CC=C1)SC2=CC=C(C=C2)N(CCCC3=CC=CC=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCCC(=O)OC1=CC(=CC=C1)SC2=CC=C(C=C2)N(CCCC3=CC=CC=C3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C34H36N2O3S/c1-2-11-33(37)39-30-17-9-18-32(26-30)40-31-21-19-29(20-22-31)36(25-10-16-27-12-5-3-6-13-27)34(38)35-24-23-28-14-7-4-8-15-28/h3-9,12-15,17-22,26H,2,10-11,16,23-25H2,1H3,(H,35,38)