ethyl 2-[[(4-iodanyl-1-methyl-pyrazol-3-yl)carbonylamino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(4-iodanyl-1-methyl-pyrazol-3-yl)carbonylamino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[(4-iodo-1-methyl-3-pyrazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-iodo-1-methylpyrazole-3-carbonyl)amino]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H20IN5O3S2 MolecularWeight: 569.43897

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)C3=NN(C=C3I)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)C3=NN(C=C3I)C

InChI

InChI=1S/C20H20IN5O3S2/c1-4-29-19(28)15-14(12-8-6-5-7-9-12)11(2)31-18(15)22-20(30)24-23-17(27)16-13(21)10-26(3)25-16/h5-10H,4H2,1-3H3,(H,23,27)(H2,22,24,30)