methyl 4-(4-chlorophenyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-chlorophenyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H22ClN5O3S MolecularWeight: 471.95978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN5O3S/c1-31-21(30)19-17(15-3-5-16(23)6-4-15)14-32-20(19)26-18(29)13-27-9-11-28(12-10-27)22-24-7-2-8-25-22/h2-8,14H,9-13H2,1H3,(H,26,29)