4-[[4-[(4-nitrophenyl)amino]phenyl]carbamothioylsulfanyl]butanoic acid

Systemtic Name: 4-[[4-[(4-nitrophenyl)amino]phenyl]carbamothioylsulfanyl]butanoic acid Openeye Name: 4-[[4-(4-nitroanilino)phenyl]carbamothioylsulfanyl]butanoic acid CAS Name: 4-[[[4-(4-nitroanilino)anilino]-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-[[4-(4-nitroanilino)phenyl]carbamothioylsulfanyl]butanoic acid Traditional Name: 4-[[4-(4-nitroanilino)phenyl]thiocarbamoylthio]butyric acid Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4S2/c21-16(22)2-1-11-26-17(25)19-14-5-3-12(4-6-14)18-13-7-9-15(10-8-13)20(23)24/h3-10,18H,1-2,11H2,(H,19,25)(H,21,22)