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

Systemtic Name: [3-[3-(heptylamino)phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[3-(heptylamino)phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[3-(heptylamino)phenyl]thio]phenyl] ester IUPAC Name: [3-[3-(heptylamino)phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[3-(heptylamino)phenyl]thio]phenyl] ester Formula: C23H31NO2S MolecularWeight: 385.56274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=CC(=CC=C1)SC2=CC=CC(=C2)OC(=O)CCC

Isomeric SMILES

CCCCCCCNC1=CC(=CC=C1)SC2=CC=CC(=C2)OC(=O)CCC

InChI

InChI=1S/C23H31NO2S/c1-3-5-6-7-8-16-24-19-12-9-14-21(17-19)27-22-15-10-13-20(18-22)26-23(25)11-4-2/h9-10,12-15,17-18,24H,3-8,11,16H2,1-2H3