3-[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioyl-(sulfanylidenecarbamoylamino)amino]benzoic acid

Systemtic Name: 3-[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioyl-(sulfanylidenecarbamoylamino)amino]benzoic acid Openeye Name: 3-[[(Z)-1-(2-pyridyl)ethylideneamino]carbamothioyl-(thioxocarbamoylamino)amino]benzoic acid CAS Name: 3-[[[oxo(thionitroso)methyl]amino]-[[(2Z)-2-[1-(2-pyridinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioyl-(sulfanylidenecarbamoylamino)amino]benzoic acid Traditional Name: 3-[[(Z)-1-(2-pyridyl)ethylideneamino]thiocarbamoyl-(thioxocarbamoylamino)amino]benzoic acid Formula: C16H14N6O3S2 MolecularWeight: 402.45076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N(C1=CC=CC(=C1)C(=O)O)NC(=O)N=S)C2=CC=CC=N2

Isomeric SMILES

C/C(=N/NC(=S)N(C1=CC=CC(=C1)C(=O)O)NC(=O)N=S)/C2=CC=CC=N2

InChI

InChI=1S/C16H14N6O3S2/c1-10(13-7-2-3-8-17-13)18-19-16(26)22(20-15(25)21-27)12-6-4-5-11(9-12)14(23)24/h2-9H,1H3,(H,19,26)(H,20,25)(H,23,24)/b18-10-