2-[[4-[(phenylmethylsulfanyl)methyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-[(phenylmethylsulfanyl)methyl]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-(benzylsulfanylmethyl)benzoyl]amino]benzoic acid CAS Name: 2-[[oxo-[4-[(phenylmethylthio)methyl]phenyl]methyl]amino]benzoic acid IUPAC Name: 2-[[4-(benzylsulfanylmethyl)benzoyl]amino]benzoic acid Traditional Name: 2-[[4-[(benzylthio)methyl]benzoyl]amino]benzoic acid Formula: C22H19NO3S MolecularWeight: 377.45616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H19NO3S/c24-21(23-20-9-5-4-8-19(20)22(25)26)18-12-10-17(11-13-18)15-27-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,23,24)(H,25,26)