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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NNC(=S)NCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O4S/c17-11(18)2-1-7-13-12(21)15-14-8-9-3-5-10(6-4-9)16(19)20/h3-6,8H,1-2,7H2,(H,17,18)(H2,13,15,21)/b14-8+