methyl 5-(diethylcarbamoyl)-2-[[(1-ethyl-3-methyl-pyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[[(1-ethyl-3-methyl-pyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[[(1-ethyl-3-methyl-pyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[(1-ethyl-3-methyl-4-pyrazolyl)methyl-methylamino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[[(1-ethyl-3-methylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[[(1-ethyl-3-methyl-pyrazol-4-yl)methyl-methyl-thiocarbamoyl]amino]-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)CN(C)C(=S)NC2=C(C(=C(S2)C(=O)N(CC)CC)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O3S2/c1-8-25(9-2)19(27)17-13(4)16(20(28)29-7)18(31-17)22-21(30)24(6)11-15-12-26(10-3)23-14(15)5/h12H,8-11H2,1-7H3,(H,22,30)