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

Systemtic Name: methyl 2-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4,6-dimethyl-2-pyridyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[(4,6-dimethyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(4,6-dimethyl-2-pyridyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H19N3O2S2 MolecularWeight: 349.47096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2S2/c1-5-11-8-12(15(20)21-4)14(23-11)19-16(22)18-13-7-9(2)6-10(3)17-13/h6-8H,5H2,1-4H3,(H2,17,18,19,22)