methyl 3-[[(E)-pyridin-3-ylmethylideneamino]carbamothioylamino]benzoate

Systemtic Name: methyl 3-[[(E)-pyridin-3-ylmethylideneamino]carbamothioylamino]benzoate Openeye Name: methyl 3-[[(E)-3-pyridylmethyleneamino]carbamothioylamino]benzoate CAS Name: 3-[[[(2E)-2-(3-pyridinylmethylidene)hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-pyridin-3-ylmethylideneamino]carbamothioylamino]benzoate Traditional Name: 3-[[(E)-3-pyridylmethyleneamino]thiocarbamoylamino]benzoic acid methyl ester Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)NN=CC2=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O2S/c1-21-14(20)12-5-2-6-13(8-12)18-15(22)19-17-10-11-4-3-7-16-9-11/h2-10H,1H3,(H2,18,19,22)/b17-10+