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

Systemtic Name: methyl 2-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1,3-dimethyl-4-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[1-(1,3-dimethylpyrazol-4-yl)ethylthiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C15H20N4O2S2 MolecularWeight: 352.4749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC(C)C2=CN(N=C2C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC(C)C2=CN(N=C2C)C)C(=O)OC

InChI

InChI=1S/C15H20N4O2S2/c1-8-6-11(14(20)21-5)13(23-8)17-15(22)16-9(2)12-7-19(4)18-10(12)3/h6-7,9H,1-5H3,(H2,16,17,22)