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

Systemtic Name: methyl 2-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1,3-dimethyl-4-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[1-(1,3-dimethylpyrazol-4-yl)ethylthiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H22N4O2S2 MolecularWeight: 366.50148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC(C)C2=CN(N=C2C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC(C)C2=CN(N=C2C)C)C(=O)OC

InChI

InChI=1S/C16H22N4O2S2/c1-6-11-7-12(15(21)22-5)14(24-11)18-16(23)17-9(2)13-8-20(4)19-10(13)3/h7-9H,6H2,1-5H3,(H2,17,18,23)