3-[[(E)-(5-nitrothiophen-2-yl)methylideneamino]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[(E)-(5-nitrothiophen-2-yl)methylideneamino]carbamothioylamino]benzoic acid Openeye Name: 3-[[(E)-(5-nitro-2-thienyl)methyleneamino]carbamothioylamino]benzoic acid CAS Name: 3-[[[(2E)-2-[(5-nitro-2-thiophenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[(E)-(5-nitrothiophen-2-yl)methylideneamino]carbamothioylamino]benzoic acid Traditional Name: 3-[[(E)-(5-nitro-2-thienyl)methyleneamino]thiocarbamoylamino]benzoic acid Formula: C13H10N4O4S2 MolecularWeight: 350.3729

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NN=CC2=CC=C(S2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)N/N=C/C2=CC=C(S2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H10N4O4S2/c18-12(19)8-2-1-3-9(6-8)15-13(22)16-14-7-10-4-5-11(23-10)17(20)21/h1-7H,(H,18,19)(H2,15,16,22)/b14-7+