[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2-methylthiazol-4-yl)methylthio]benzoic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C22H23N5O3S2 MolecularWeight: 469.57972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H23N5O3S2/c1-16-25-17(14-31-16)15-32-19-6-3-2-5-18(19)21(29)30-13-20(28)26-9-11-27(12-10-26)22-23-7-4-8-24-22/h2-8,14H,9-13,15H2,1H3