[3-[3-(phenethylamino)phenyl]sulfanylphenyl] butanoate

Systemtic Name: [3-[3-(phenethylamino)phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[3-(phenethylamino)phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[3-(phenethylamino)phenyl]thio]phenyl] ester IUPAC Name: [3-[3-(phenethylamino)phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[3-(phenethylamino)phenyl]thio]phenyl] ester Formula: C24H25NO2S MolecularWeight: 391.5258

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC(=CC=C1)SC2=CC=CC(=C2)NCCC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)OC1=CC(=CC=C1)SC2=CC=CC(=C2)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H25NO2S/c1-2-8-24(26)27-21-12-7-14-23(18-21)28-22-13-6-11-20(17-22)25-16-15-19-9-4-3-5-10-19/h3-7,9-14,17-18,25H,2,8,15-16H2,1H3