methyl 4-ethyl-5-methyl-2-(2-piperidin-1-ylethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-(2-piperidin-1-ylethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[2-(1-piperidyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[2-(1-piperidinyl)ethylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-(2-piperidin-1-ylethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-(2-piperidinoethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H27N3O2S2 MolecularWeight: 369.54518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCCN2CCCCC2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCCN2CCCCC2)C

InChI

InChI=1S/C17H27N3O2S2/c1-4-13-12(2)24-15(14(13)16(21)22-3)19-17(23)18-8-11-20-9-6-5-7-10-20/h4-11H2,1-3H3,(H2,18,19,23)