4-[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioylamino]benzoic acid

Systemtic Name: 4-[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioylamino]benzoic acid Openeye Name: 4-[[(Z)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]benzoic acid CAS Name: 4-[[[(2Z)-2-[1-(2-pyridinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioylamino]benzoic acid Traditional Name: 4-[[(Z)-1-(2-pyridyl)ethylideneamino]thiocarbamoylamino]benzoic acid Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=CC=C(C=C1)C(=O)O)C2=CC=CC=N2

Isomeric SMILES

C/C(=N/NC(=S)NC1=CC=C(C=C1)C(=O)O)/C2=CC=CC=N2

InChI

InChI=1S/C15H14N4O2S/c1-10(13-4-2-3-9-16-13)18-19-15(22)17-12-7-5-11(6-8-12)14(20)21/h2-9H,1H3,(H,20,21)(H2,17,19,22)/b18-10-