methyl 4,5-dimethyl-2-[(4-methylpyrimidin-2-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[(4-methylpyrimidin-2-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(4-methylpyrimidin-2-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[(4-methyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(4-methylpyrimidin-2-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(4-methylpyrimidin-2-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C14H16N4O2S2 MolecularWeight: 336.43244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC

Isomeric SMILES

CC1=NC(=NC=C1)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC

InChI

InChI=1S/C14H16N4O2S2/c1-7-5-6-15-13(16-7)18-14(21)17-11-10(12(19)20-4)8(2)9(3)22-11/h5-6H,1-4H3,(H2,15,16,17,18,21)