3-[[4-(4-nitrophenoxy)phenyl]carbamothioylsulfanyl]propanoic acid

Systemtic Name: 3-[[4-(4-nitrophenoxy)phenyl]carbamothioylsulfanyl]propanoic acid Openeye Name: 3-[[4-(4-nitrophenoxy)phenyl]carbamothioylsulfanyl]propanoic acid CAS Name: 3-[[[4-(4-nitrophenoxy)anilino]-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: 3-[[4-(4-nitrophenoxy)phenyl]carbamothioylsulfanyl]propanoic acid Traditional Name: 3-[[4-(4-nitrophenoxy)phenyl]thiocarbamoylthio]propionic acid Formula: C16H14N2O5S2 MolecularWeight: 378.42276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)SCCC(=O)O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)SCCC(=O)O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O5S2/c19-15(20)9-10-25-16(24)17-11-1-5-13(6-2-11)23-14-7-3-12(4-8-14)18(21)22/h1-8H,9-10H2,(H,17,24)(H,19,20)