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

Systemtic Name: ethyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(4,6-dimethyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C21H22N4O2S2/c1-5-27-19(26)17-16(15-9-7-6-8-10-15)14(4)29-18(17)24-21(28)25-20-22-12(2)11-13(3)23-20/h6-11H,5H2,1-4H3,(H2,22,23,24,25,28)