ethyl 4-[(pyridin-3-ylcarbonylamino)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(pyridin-3-ylcarbonylamino)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(pyridine-3-carbonylamino)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo(3-pyridinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(pyridine-3-carbonylamino)carbamothioylamino]benzoate Traditional Name: 4-(nicotinamidothiocarbamoylamino)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=CN=CC=C2

Isomeric SMILES

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

InChI

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