2-[[4-[(4-nitrophenyl)amino]phenyl]carbamothioylsulfanyl]ethanoic acid

Systemtic Name: 2-[[4-[(4-nitrophenyl)amino]phenyl]carbamothioylsulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-nitroanilino)phenyl]carbamothioylsulfanyl]acetic acid CAS Name: 2-[[[4-(4-nitroanilino)anilino]-sulfanylidenemethyl]thio]acetic acid IUPAC Name: 2-[[4-(4-nitroanilino)phenyl]carbamothioylsulfanyl]acetic acid Traditional Name: 2-[[4-(4-nitroanilino)phenyl]thiocarbamoylthio]acetic acid Formula: C15H13N3O4S2 MolecularWeight: 363.41142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CC=C(C=C2)[N+](=O)[O-])NC(=S)SCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=CC=C(C=C2)[N+](=O)[O-])NC(=S)SCC(=O)O

InChI

InChI=1S/C15H13N3O4S2/c19-14(20)9-24-15(23)17-12-3-1-10(2-4-12)16-11-5-7-13(8-6-11)18(21)22/h1-8,16H,9H2,(H,17,23)(H,19,20)