3-[[(E)-(6-methylpyridin-2-yl)methylideneamino]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[(E)-(6-methylpyridin-2-yl)methylideneamino]carbamothioylamino]benzoic acid Openeye Name: 3-[[(E)-(6-methyl-2-pyridyl)methyleneamino]carbamothioylamino]benzoic acid CAS Name: 3-[[[(2E)-2-[(6-methyl-2-pyridinyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[(E)-(6-methylpyridin-2-yl)methylideneamino]carbamothioylamino]benzoic acid Traditional Name: 3-[[(E)-(6-methyl-2-pyridyl)methyleneamino]thiocarbamoylamino]benzoic acid Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C=NNC(=S)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC=CC(=N1)/C=N/NC(=S)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C15H14N4O2S/c1-10-4-2-7-13(17-10)9-16-19-15(22)18-12-6-3-5-11(8-12)14(20)21/h2-9H,1H3,(H,20,21)(H2,18,19,22)/b16-9+