4-[[(E)-(3-nitrophenyl)methylideneamino]carbamothioylamino]butanoic acid

Systemtic Name: 4-[[(E)-(3-nitrophenyl)methylideneamino]carbamothioylamino]butanoic acid Openeye Name: 4-[[(E)-(3-nitrophenyl)methyleneamino]carbamothioylamino]butanoic acid CAS Name: 4-[[[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 4-[[(E)-(3-nitrophenyl)methylideneamino]carbamothioylamino]butanoic acid Traditional Name: 4-[[(E)-(3-nitrobenzylidene)amino]thiocarbamoylamino]butyric acid Formula: C12H14N4O4S MolecularWeight: 310.32896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=S)NCCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/NC(=S)NCCCC(=O)O

InChI

InChI=1S/C12H14N4O4S/c17-11(18)5-2-6-13-12(21)15-14-8-9-3-1-4-10(7-9)16(19)20/h1,3-4,7-8H,2,5-6H2,(H,17,18)(H2,13,15,21)/b14-8+