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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC(=S)NC1=CC=C(C=C1)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)SC(=S)NC1=CC=C(C=C1)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S2/c1-10(15(20)21)25-16(24)18-13-4-2-11(3-5-13)17-12-6-8-14(9-7-12)19(22)23/h2-10,17H,1H3,(H,18,24)(H,20,21)