methyl 2-(3-pyrazol-1-ylpropylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(3-pyrazol-1-ylpropylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(3-pyrazol-1-ylpropylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[3-(1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-pyrazol-1-ylpropylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(3-pyrazol-1-ylpropylthiocarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C16H20N4O2S2 MolecularWeight: 364.4856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NCCCN3C=CC=N3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NCCCN3C=CC=N3

InChI

InChI=1S/C16H20N4O2S2/c1-22-15(21)13-11-5-2-6-12(11)24-14(13)19-16(23)17-7-3-9-20-10-4-8-18-20/h4,8,10H,2-3,5-7,9H2,1H3,(H2,17,19,23)