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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[1-(1,3-dimethyl-4-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[1-(1,3-dimethylpyrazol-4-yl)ethylthiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H29N5O3S2 MolecularWeight: 451.60596

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC(C)C2=CN(N=C2C)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC(C)C2=CN(N=C2C)C)C(=O)OC)C

InChI

InChI=1S/C20H29N5O3S2/c1-8-25(9-2)18(26)16-11(3)15(19(27)28-7)17(30-16)22-20(29)21-12(4)14-10-24(6)23-13(14)5/h10,12H,8-9H2,1-7H3,(H2,21,22,29)