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

Systemtic Name: ethyl 4-[(pyridin-4-ylcarbonylamino)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(pyridine-4-carbonylamino)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(pyridine-4-carbonylamino)carbamothioylamino]benzoate Traditional Name: 4-(isonicotinamidothiocarbamoylamino)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=NC=C2

Isomeric SMILES

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

InChI

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