ethyl 4-[(pyridin-2-ylcarbonylamino)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(pyridin-2-ylcarbonylamino)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(pyridine-2-carbonylamino)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo(2-pyridinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(pyridine-2-carbonylamino)carbamothioylamino]benzoate Traditional Name: 4-(picolinamidothiocarbamoylamino)benzoic acid ethyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=N2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=N2

InChI

InChI=1S/C16H16N4O3S/c1-2-23-15(22)11-6-8-12(9-7-11)18-16(24)20-19-14(21)13-5-3-4-10-17-13/h3-10H,2H2,1H3,(H,19,21)(H2,18,20,24)