ethyl 4-[(5-nitropyridin-2-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(5-nitropyridin-2-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(5-nitro-2-pyridyl)carbamothioylamino]benzoate CAS Name: 4-[[[(5-nitro-2-pyridinyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-nitropyridin-2-yl)carbamothioylamino]benzoate Traditional Name: 4-[(5-nitro-2-pyridyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O4S/c1-2-23-14(20)10-3-5-11(6-4-10)17-15(24)18-13-8-7-12(9-16-13)19(21)22/h3-9H,2H2,1H3,(H2,16,17,18,24)