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

Systemtic Name: 4-[[2-[2-(phenylmethylsulfanyl)ethanoylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[2-[(2-benzylsulfanylacetyl)amino]benzoyl]amino]benzoic acid CAS Name: 4-[[oxo-[2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]phenyl]methyl]amino]benzoic acid IUPAC Name: 4-[[2-[(2-benzylsulfanylacetyl)amino]benzoyl]amino]benzoic acid Traditional Name: 4-[[2-[[2-(benzylthio)acetyl]amino]benzoyl]amino]benzoic acid Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H20N2O4S/c26-21(15-30-14-16-6-2-1-3-7-16)25-20-9-5-4-8-19(20)22(27)24-18-12-10-17(11-13-18)23(28)29/h1-13H,14-15H2,(H,24,27)(H,25,26)(H,28,29)