4-[[3-[2-(phenylmethylsulfanyl)ethanoylamino]phenyl]carbonylamino]benzoate

Systemtic Name: 4-[[3-[2-(phenylmethylsulfanyl)ethanoylamino]phenyl]carbonylamino]benzoate Openeye Name: 4-[[3-[(2-benzylsulfanylacetyl)amino]benzoyl]amino]benzoate CAS Name: 4-[[oxo-[3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]phenyl]methyl]amino]benzoate IUPAC Name: 4-[[3-[(2-benzylsulfanylacetyl)amino]benzoyl]amino]benzoate Traditional Name: 4-[[3-[[2-(benzylthio)acetyl]amino]benzoyl]amino]benzoate Formula: C23H19N2O4S- MolecularWeight: 419.47296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

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