methyl 5-(diethylcarbamoyl)-2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylcarbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylthiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H31N5O3S2 MolecularWeight: 465.63254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O3S2/c1-8-25(9-2)19(27)17-12(4)16(20(28)29-7)18(31-17)23-21(30)22-11-15-13(5)24-26(10-3)14(15)6/h8-11H2,1-7H3,(H2,22,23,30)