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

Systemtic Name: methyl 4-(4-methylphenyl)-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(p-tolyl)-2-[[2-[4-(2-pyridyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(p-tolyl)-2-[[2-[4-(2-pyridyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C24H26N4O3S/c1-17-6-8-18(9-7-17)19-16-32-23(22(19)24(30)31-2)26-21(29)15-27-11-13-28(14-12-27)20-5-3-4-10-25-20/h3-10,16H,11-15H2,1-2H3,(H,26,29)