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

Systemtic Name: 3-[(pyridin-3-ylmethylideneamino)carbamothioylamino]benzoate Openeye Name: 3-[(3-pyridylmethyleneamino)carbamothioylamino]benzoate CAS Name: 3-[[[2-(3-pyridinylmethylidene)hydrazinyl]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[(pyridin-3-ylmethylideneamino)carbamothioylamino]benzoate Traditional Name: 3-[(3-pyridylmethyleneamino)thiocarbamoylamino]benzoate Formula: C14H11N4O2S- MolecularWeight: 299.32774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NN=CC2=CN=CC=C2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NN=CC2=CN=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H12N4O2S/c19-13(20)11-4-1-5-12(7-11)17-14(21)18-16-9-10-3-2-6-15-8-10/h1-9H,(H,19,20)(H2,17,18,21)/p-1