methyl 2-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[4-(2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H22N4O2S2 MolecularWeight: 402.53358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C19H22N4O2S2/c1-25-18(24)16-13-5-4-6-14(13)27-17(16)21-19(26)23-11-9-22(10-12-23)15-7-2-3-8-20-15/h2-3,7-8H,4-6,9-12H2,1H3,(H,21,26)