2-[1-[2-(phenylmethylsulfanyl)phenyl]propan-2-ylamino]benzoic acid

Systemtic Name: 2-[1-[2-(phenylmethylsulfanyl)phenyl]propan-2-ylamino]benzoic acid Openeye Name: 2-[[2-(2-benzylsulfanylphenyl)-1-methyl-ethyl]amino]benzoic acid CAS Name: 2-[1-[2-(phenylmethylthio)phenyl]propan-2-ylamino]benzoic acid IUPAC Name: 2-[1-(2-benzylsulfanylphenyl)propan-2-ylamino]benzoic acid Traditional Name: 2-[[2-[2-(benzylthio)phenyl]-1-methyl-ethyl]amino]benzoic acid Formula: C23H23NO2S MolecularWeight: 377.49922

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1SCC2=CC=CC=C2)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(CC1=CC=CC=C1SCC2=CC=CC=C2)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H23NO2S/c1-17(24-21-13-7-6-12-20(21)23(25)26)15-19-11-5-8-14-22(19)27-16-18-9-3-2-4-10-18/h2-14,17,24H,15-16H2,1H3,(H,25,26)