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

Systemtic Name: ethyl 4-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(4,6-dimethyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]benzoate Traditional Name: 4-[(4,6-dimethylpyrimidin-2-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2S/c1-4-22-14(21)12-5-7-13(8-6-12)19-16(23)20-15-17-10(2)9-11(3)18-15/h5-9H,4H2,1-3H3,(H2,17,18,19,20,23)