3-[[2-[1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[2-[1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[2-[1-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)-4-piperidyl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[2-[1-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-4-piperidinyl]-1-imidazolyl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[2-[1-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[2-[1-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]-4-piperidyl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Formula: C22H21ClN6O2S2 MolecularWeight: 501.02414

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5SC4=O)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5SC4=O)Cl

InChI

InChI=1S/C22H21ClN6O2S2/c1-32-21-25-12-15(23)18(26-21)20(30)27-9-6-14(7-10-27)19-24-8-11-28(19)13-29-16-4-2-3-5-17(16)33-22(29)31/h2-5,8,11-12,14H,6-7,9-10,13H2,1H3