ethyl 4-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(4,6-dimethyl-2-pyridyl)carbamothioylamino]benzoate CAS Name: 4-[[[(4,6-dimethyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]benzoate Traditional Name: 4-[(4,6-dimethyl-2-pyridyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=N2)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=N2)C)C

InChI

InChI=1S/C17H19N3O2S/c1-4-22-16(21)13-5-7-14(8-6-13)19-17(23)20-15-10-11(2)9-12(3)18-15/h5-10H,4H2,1-3H3,(H2,18,19,20,23)