methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[(4,6-dimethyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C15H18N4O2S2 MolecularWeight: 350.45902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=NC(=CC(=N2)C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=NC(=CC(=N2)C)C)C(=O)OC

InChI

InChI=1S/C15H18N4O2S2/c1-5-10-7-11(13(20)21-4)12(23-10)18-15(22)19-14-16-8(2)6-9(3)17-14/h6-7H,5H2,1-4H3,(H2,16,17,18,19,22)