3-[[4-[(4-nitrophenyl)amino]phenyl]carbamothioylsulfanyl]propanoic acid

Systemtic Name: 3-[[4-[(4-nitrophenyl)amino]phenyl]carbamothioylsulfanyl]propanoic acid Openeye Name: 3-[[4-(4-nitroanilino)phenyl]carbamothioylsulfanyl]propanoic acid CAS Name: 3-[[[4-(4-nitroanilino)anilino]-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: 3-[[4-(4-nitroanilino)phenyl]carbamothioylsulfanyl]propanoic acid Traditional Name: 3-[[4-(4-nitroanilino)phenyl]thiocarbamoylthio]propionic acid Formula: C16H15N3O4S2 MolecularWeight: 377.438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S2/c20-15(21)9-10-25-16(24)18-13-3-1-11(2-4-13)17-12-5-7-14(8-6-12)19(22)23/h1-8,17H,9-10H2,(H,18,24)(H,20,21)