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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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