ethyl 2-[3-[4-[phenethyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoate

Systemtic Name: ethyl 2-[3-[4-[phenethyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[3-[4-[phenethyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[3-[[4-[[oxo-(phenethylamino)methyl]-phenethylamino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[4-[phenethyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[3-[[4-[phenethyl(phenethylcarbamoyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C33H34N2O3S MolecularWeight: 538.69966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=CC=C1)SC2=CC=C(C=C2)N(CCC3=CC=CC=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC1=CC(=CC=C1)SC2=CC=C(C=C2)N(CCC3=CC=CC=C3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C33H34N2O3S/c1-2-38-32(36)25-28-14-9-15-31(24-28)39-30-18-16-29(17-19-30)35(23-21-27-12-7-4-8-13-27)33(37)34-22-20-26-10-5-3-6-11-26/h3-19,24H,2,20-23,25H2,1H3,(H,34,37)