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

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

Isomeric SMILES

CCN1C=C(C(=N1)C)C(C)NC(=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)17-12(4)16(20(28)29-7)18(31-17)23-21(30)22-13(5)15-11-26(10-3)24-14(15)6/h11,13H,8-10H2,1-7H3,(H2,22,23,30)