dimethyl 5-[[(4-bromanyl-2,5-dimethyl-pyrazol-3-yl)carbonylamino]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[[(4-bromanyl-2,5-dimethyl-pyrazol-3-yl)carbonylamino]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)amino]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[(4-bromo-2,5-dimethyl-3-pyrazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)amino]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H18BrN5O5S2 MolecularWeight: 504.37862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=C(C(=NN2C)C)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=C(C(=NN2C)C)Br)C(=O)OC

InChI

InChI=1S/C16H18BrN5O5S2/c1-6-8(14(24)26-4)13(29-11(6)15(25)27-5)18-16(28)20-19-12(23)10-9(17)7(2)21-22(10)3/h1-5H3,(H,19,23)(H2,18,20,28)