[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)C(=O)OCC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)C(=O)OCC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H29N5O3S/c31-22(29-13-15-30(16-14-29)24-26-11-6-12-27-24)18-33-23(32)25(9-4-1-5-10-25)17-21-28-19-7-2-3-8-20(19)34-21/h2-3,6-8,11-12H,1,4-5,9-10,13-18H2