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

Systemtic Name: methyl 2-[3-(4-chloranylpyrazol-1-yl)propylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-chloropyrazol-1-yl)propylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(4-chloro-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-chloropyrazol-1-yl)propylcarbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[3-(4-chloropyrazol-1-yl)propylthiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H21ClN4O2S2 MolecularWeight: 400.94654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4O2S2/c1-4-12-10(2)25-14(13(12)15(22)23-3)20-16(24)18-6-5-7-21-9-11(17)8-19-21/h8-9H,4-7H2,1-3H3,(H2,18,20,24)