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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[(1,3-dimethylpyrazol-4-yl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[(1,3-dimethylpyrazol-4-yl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[(1,3-dimethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[(1,3-dimethylpyrazol-4-yl)carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(1,3-dimethylpyrazol-4-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:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CN(N=C2C)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CN(N=C2C)C)C(=O)OC)C

InChI

InChI=1S/C18H25N5O3S2/c1-7-23(8-2)16(24)14-10(3)13(17(25)26-6)15(28-14)20-18(27)19-12-9-22(5)21-11(12)4/h9H,7-8H2,1-6H3,(H2,19,20,27)