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

Systemtic Name: 2-[[3-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]phenyl]carbonylamino]benzoate Openeye Name: 2-[[3-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoyl]amino]benzoate CAS Name: 2-[[[3-[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoate IUPAC Name: 2-[[3-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoyl]amino]benzoate Traditional Name: 2-[[3-[[2-[(4-nitrobenzyl)thio]acetyl]amino]benzoyl]amino]benzoate Formula: C23H18N3O6S- MolecularWeight: 464.47052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])NC(=O)C2=CC(=CC=C2)NC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])NC(=O)C2=CC(=CC=C2)NC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O6S/c27-21(14-33-13-15-8-10-18(11-9-15)26(31)32)24-17-5-3-4-16(12-17)22(28)25-20-7-2-1-6-19(20)23(29)30/h1-12H,13-14H2,(H,24,27)(H,25,28)(H,29,30)/p-1