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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[[(4-iodanyl-1-methyl-pyrazol-3-yl)carbonylamino]carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[[(4-iodo-1-methyl-3-pyrazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[[(4-iodo-1-methylpyrazole-3-carbonyl)amino]carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H23IN6O4S2 MolecularWeight: 578.44749

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=O)C2=NN(C=C2I)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=O)C2=NN(C=C2I)C)C(=O)OC)C

InChI

InChI=1S/C18H23IN6O4S2/c1-6-25(7-2)16(27)13-9(3)11(17(28)29-5)15(31-13)20-18(30)22-21-14(26)12-10(19)8-24(4)23-12/h8H,6-7H2,1-5H3,(H,21,26)(H2,20,22,30)