2-[[carbamothioyl-[(E)-1-pyridin-2-ylethylideneamino]amino]methoxy]ethyl ethanoate

Systemtic Name: 2-[[carbamothioyl-[(E)-1-pyridin-2-ylethylideneamino]amino]methoxy]ethyl ethanoate Openeye Name: 2-[[carbamothioyl-[(E)-1-(2-pyridyl)ethylideneamino]amino]methoxy]ethyl acetate CAS Name: acetic acid 2-[[carbamothioyl-[(E)-1-(2-pyridinyl)ethylideneamino]amino]methoxy]ethyl ester IUPAC Name: 2-[[carbamothioyl-[(E)-1-pyridin-2-ylethylideneamino]amino]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[[(E)-1-(2-pyridyl)ethylideneamino]-thiocarbamoyl-amino]methoxy]ethyl ester Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN(COCCOC(=O)C)C(=S)N)C1=CC=CC=N1

Isomeric SMILES

C/C(=N\N(COCCOC(=O)C)C(=S)N)/C1=CC=CC=N1

InChI

InChI=1S/C13H18N4O3S/c1-10(12-5-3-4-6-15-12)16-17(13(14)21)9-19-7-8-20-11(2)18/h3-6H,7-9H2,1-2H3,(H2,14,21)/b16-10+