methyl 2-[[(4-iodanyl-1-methyl-pyrazol-3-yl)carbonylamino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(4-iodanyl-1-methyl-pyrazol-3-yl)carbonylamino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[(4-iodo-1-methyl-3-pyrazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-iodo-1-methylpyrazole-3-carbonyl)amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C15H16IN5O3S2 MolecularWeight: 505.35371

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NNC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NNC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)I

InChI

InChI=1S/C15H16IN5O3S2/c1-21-6-8(16)11(20-21)12(22)18-19-15(25)17-13-10(14(23)24-2)7-4-3-5-9(7)26-13/h6H,3-5H2,1-2H3,(H,18,22)(H2,17,19,25)