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

Systemtic Name: ethyl 4-[(5-chloranylpyridin-2-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(5-chloro-2-pyridyl)carbamothioylamino]benzoate CAS Name: 4-[[[(5-chloro-2-pyridinyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-chloropyridin-2-yl)carbamothioylamino]benzoate Traditional Name: 4-[(5-chloro-2-pyridyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C15H14ClN3O2S MolecularWeight: 335.80856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NC=C(C=C2)Cl

InChI

InChI=1S/C15H14ClN3O2S/c1-2-21-14(20)10-3-6-12(7-4-10)18-15(22)19-13-8-5-11(16)9-17-13/h3-9H,2H2,1H3,(H2,17,18,19,22)