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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[(1-ethylpyrazol-3-yl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[(1-ethylpyrazol-3-yl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[(1-ethyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[(1-ethylpyrazol-3-yl)carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(1-ethylpyrazol-3-yl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H25N5O3S2 MolecularWeight: 423.5528

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)NC(=S)NC2=C(C(=C(S2)C(=O)N(CC)CC)C)C(=O)OC

Isomeric SMILES

CCN1C=CC(=N1)NC(=S)NC2=C(C(=C(S2)C(=O)N(CC)CC)C)C(=O)OC

InChI

InChI=1S/C18H25N5O3S2/c1-6-22(7-2)16(24)14-11(4)13(17(25)26-5)15(28-14)20-18(27)19-12-9-10-23(8-3)21-12/h9-10H,6-8H2,1-5H3,(H2,19,20,21,27)