methyl 2-[(5-chloranylpyridin-2-yl)carbamothioylamino]benzoate

Systemtic Name: methyl 2-[(5-chloranylpyridin-2-yl)carbamothioylamino]benzoate Openeye Name: methyl 2-[(5-chloro-2-pyridyl)carbamothioylamino]benzoate CAS Name: 2-[[[(5-chloro-2-pyridinyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(5-chloropyridin-2-yl)carbamothioylamino]benzoate Traditional Name: 2-[(5-chloro-2-pyridyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C14H12ClN3O2S MolecularWeight: 321.78198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC2=NC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC2=NC=C(C=C2)Cl

InChI

InChI=1S/C14H12ClN3O2S/c1-20-13(19)10-4-2-3-5-11(10)17-14(21)18-12-7-6-9(15)8-16-12/h2-8H,1H3,(H2,16,17,18,21)