3-[[2-[1-(2-methoxy-4-methylsulfanyl-phenyl)carbonylpiperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[2-[1-(2-methoxy-4-methylsulfanyl-phenyl)carbonylpiperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[2-[1-(2-methoxy-4-methylsulfanyl-benzoyl)-4-piperidyl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[2-[1-[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]-4-piperidinyl]-1-imidazolyl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[2-[1-(2-methoxy-4-methylsulfanylbenzoyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[2-[1-[2-methoxy-4-(methylthio)benzoyl]-4-piperidyl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Formula: C25H26N4O3S2 MolecularWeight: 494.62894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5SC4=O

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5SC4=O

InChI

InChI=1S/C25H26N4O3S2/c1-32-21-15-18(33-2)7-8-19(21)24(30)27-12-9-17(10-13-27)23-26-11-14-28(23)16-29-20-5-3-4-6-22(20)34-25(29)31/h3-8,11,14-15,17H,9-10,12-13,16H2,1-2H3