ethyl 4-[(4-methylpyrimidin-2-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-methylpyrimidin-2-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-methylpyrimidin-2-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(4-methyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylpyrimidin-2-yl)carbamothioylamino]benzoate Traditional Name: 4-[(4-methylpyrimidin-2-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O2S/c1-3-21-13(20)11-4-6-12(7-5-11)18-15(22)19-14-16-9-8-10(2)17-14/h4-9H,3H2,1-2H3,(H2,16,17,18,19,22)