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

Systemtic Name: methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylthiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H26N4O2S2 MolecularWeight: 394.55464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCCCN2C(=CC(=N2)C)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCCCN2C(=CC(=N2)C)C)C

InChI

InChI=1S/C18H26N4O2S2/c1-6-14-13(4)26-16(15(14)17(23)24-5)20-18(25)19-8-7-9-22-12(3)10-11(2)21-22/h10H,6-9H2,1-5H3,(H2,19,20,25)