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

Systemtic Name: ethyl 2-[3-[3-[butyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[3-[3-[butyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[3-[[3-[butyl-[oxo-(phenethylamino)methyl]amino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[3-[butyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[3-[[3-[butyl(phenethylcarbamoyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C29H34N2O3S MolecularWeight: 490.65686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)CC(=O)OCC)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)CC(=O)OCC)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C29H34N2O3S/c1-3-5-19-31(29(33)30-18-17-23-11-7-6-8-12-23)25-14-10-16-27(22-25)35-26-15-9-13-24(20-26)21-28(32)34-4-2/h6-16,20,22H,3-5,17-19,21H2,1-2H3,(H,30,33)