3-phenyl-3-[(phenylmethyl)amino]-2-phenylsulfanyl-propanoic acid

Systemtic Name: 3-phenyl-3-[(phenylmethyl)amino]-2-phenylsulfanyl-propanoic acid Openeye Name: 3-(benzylamino)-3-phenyl-2-phenylsulfanyl-propanoic acid CAS Name: 3-phenyl-3-[(phenylmethyl)amino]-2-(phenylthio)propanoic acid IUPAC Name: 3-(benzylamino)-3-phenyl-2-phenylsulfanylpropanoic acid Traditional Name: 3-(benzylamino)-3-phenyl-2-(phenylthio)propionic acid Formula: C22H21NO2S MolecularWeight: 363.47264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO2S/c24-22(25)21(26-19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)23-16-17-10-4-1-5-11-17/h1-15,20-21,23H,16H2,(H,24,25)