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

Systemtic Name: ethyl 2-[3-[3-[phenethyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[3-[3-[phenethyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[3-[[3-[[oxo-(phenethylamino)methyl]-phenethylamino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[3-[phenethyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[3-[[3-[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=CC(=C2)N(CCC3=CC=CC=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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