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

Systemtic Name: [3-[3-(butylamino)phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[3-(butylamino)phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[3-(butylamino)phenyl]thio]phenyl] ester IUPAC Name: [3-[3-(butylamino)phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[3-(butylamino)phenyl]thio]phenyl] ester Formula: C20H25NO2S MolecularWeight: 343.483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(=CC=C1)SC2=CC=CC(=C2)OC(=O)CCC

Isomeric SMILES

CCCCNC1=CC(=CC=C1)SC2=CC=CC(=C2)OC(=O)CCC

InChI

InChI=1S/C20H25NO2S/c1-3-5-13-21-16-9-6-11-18(14-16)24-19-12-7-10-17(15-19)23-20(22)8-4-2/h6-7,9-12,14-15,21H,3-5,8,13H2,1-2H3