[3-[4-(phenethylamino)phenyl]sulfanylphenyl] butanoate

Systemtic Name: [3-[4-(phenethylamino)phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[4-(phenethylamino)phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[4-(phenethylamino)phenyl]thio]phenyl] ester IUPAC Name: [3-[4-(phenethylamino)phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[4-(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=C(C=C2)NCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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