3-[[4-[(2-nitrophenyl)amino]phenyl]carbamothioylsulfanyl]propanoic acid

Systemtic Name: 3-[[4-[(2-nitrophenyl)amino]phenyl]carbamothioylsulfanyl]propanoic acid Openeye Name: 3-[[4-(2-nitroanilino)phenyl]carbamothioylsulfanyl]propanoic acid CAS Name: 3-[[[4-(2-nitroanilino)anilino]-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: 3-[[4-(2-nitroanilino)phenyl]carbamothioylsulfanyl]propanoic acid Traditional Name: 3-[[4-(2-nitroanilino)phenyl]thiocarbamoylthio]propionic acid Formula: C16H15N3O4S2 MolecularWeight: 377.438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=CC=C(C=C2)NC(=S)SCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC2=CC=C(C=C2)NC(=S)SCCC(=O)O)[N+](=O)[O-]

InChI

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