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

Systemtic Name: [3-[4-(heptylamino)phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[4-(heptylamino)phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[4-(heptylamino)phenyl]thio]phenyl] ester IUPAC Name: [3-[4-(heptylamino)phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[4-(heptylamino)phenyl]thio]phenyl] ester Formula: C23H31NO2S MolecularWeight: 385.56274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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