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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[(1-ethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(1-ethylpyrazol-4-yl)methylthiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H27N5O3S2 MolecularWeight: 437.57938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O3S2/c1-6-23(7-2)17(25)15-12(4)14(18(26)27-5)16(29-15)22-19(28)20-9-13-10-21-24(8-3)11-13/h10-11H,6-9H2,1-5H3,(H2,20,22,28)