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

Systemtic Name: [3-[4-(butylamino)phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[4-(butylamino)phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[4-(butylamino)phenyl]thio]phenyl] ester IUPAC Name: [3-[4-(butylamino)phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[4-(butylamino)phenyl]thio]phenyl] ester Formula: C20H25NO2S MolecularWeight: 343.483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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