4-[[(E)-1-(4-nitrophenyl)ethylideneamino]carbamothioylamino]butanoic acid

Systemtic Name: 4-[[(E)-1-(4-nitrophenyl)ethylideneamino]carbamothioylamino]butanoic acid Openeye Name: 4-[[(E)-1-(4-nitrophenyl)ethylideneamino]carbamothioylamino]butanoic acid CAS Name: 4-[[[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 4-[[(E)-1-(4-nitrophenyl)ethylideneamino]carbamothioylamino]butanoic acid Traditional Name: 4-[[(E)-1-(4-nitrophenyl)ethylideneamino]thiocarbamoylamino]butyric acid Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O4S/c1-9(10-4-6-11(7-5-10)17(20)21)15-16-13(22)14-8-2-3-12(18)19/h4-7H,2-3,8H2,1H3,(H,18,19)(H2,14,16,22)/b15-9+