3,4-bis[2-(phenylmethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 3,4-bis[2-(phenylmethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 3,4-bis[(2-benzylsulfanylacetyl)amino]benzoic acid CAS Name: 3,4-bis[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzoic acid IUPAC Name: 3,4-bis[(2-benzylsulfanylacetyl)amino]benzoic acid Traditional Name: 3,4-bis[[2-(benzylthio)acetyl]amino]benzoic acid Formula: C25H24N2O4S2 MolecularWeight: 480.59906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C25H24N2O4S2/c28-23(16-32-14-18-7-3-1-4-8-18)26-21-12-11-20(25(30)31)13-22(21)27-24(29)17-33-15-19-9-5-2-6-10-19/h1-13H,14-17H2,(H,26,28)(H,27,29)(H,30,31)