ethyl 2-[3-[3-[phenethylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoate

Systemtic Name: ethyl 2-[3-[3-[phenethylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[3-[3-[phenethylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[3-[[3-[[oxo-(phenethylamino)methyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[3-[phenethylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[3-[[3-[phenethylcarbamoyl(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C34H36N2O3S MolecularWeight: 552.72624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=CC=C1)SC2=CC=CC(=C2)N(CCCC3=CC=CC=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC1=CC(=CC=C1)SC2=CC=CC(=C2)N(CCCC3=CC=CC=C3)C(=O)NCCC4=CC=CC=C4

InChI

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