methyl 4-phenyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-phenyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-phenyl-2-[[2-[4-(2-pyridyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[[2-[4-(2-pyridyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H24N4O3S/c1-30-23(29)21-18(17-7-3-2-4-8-17)16-31-22(21)25-20(28)15-26-11-13-27(14-12-26)19-9-5-6-10-24-19/h2-10,16H,11-15H2,1H3,(H,25,28)