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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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