2-[3-[3-(3-phenylpropylamino)phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[3-[3-(3-phenylpropylamino)phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[3-(3-phenylpropylamino)phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[3-(3-phenylpropylamino)phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[3-(3-phenylpropylamino)phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[3-(3-phenylpropylamino)phenyl]thio]phenyl]acetic acid Formula: C23H23NO2S MolecularWeight: 377.49922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC2=CC(=CC=C2)SC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCNC2=CC(=CC=C2)SC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C23H23NO2S/c25-23(26)16-19-9-4-12-21(15-19)27-22-13-5-11-20(17-22)24-14-6-10-18-7-2-1-3-8-18/h1-5,7-9,11-13,15,17,24H,6,10,14,16H2,(H,25,26)