1-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-diethoxyphosphoryl-ethanone

Systemtic Name: 1-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-diethoxyphosphoryl-ethanone Openeye Name: 1-[4-[4-(3-bromophenyl)thiazol-2-yl]-1-piperidyl]-2-diethoxyphosphoryl-ethanone CAS Name: 1-[4-[4-(3-bromophenyl)-2-thiazolyl]-1-piperidinyl]-2-diethoxyphosphorylethanone IUPAC Name: 1-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-diethoxyphosphorylethanone Traditional Name: 1-[4-[4-(3-bromophenyl)thiazol-2-yl]piperidino]-2-diethoxyphosphoryl-ethanone Formula: C20H26BrN2O4PS MolecularWeight: 501.374201

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(=O)N1CCC(CC1)C2=NC(=CS2)C3=CC(=CC=C3)Br)OCC

Isomeric SMILES

CCOP(=O)(CC(=O)N1CCC(CC1)C2=NC(=CS2)C3=CC(=CC=C3)Br)OCC

InChI

InChI=1S/C20H26BrN2O4PS/c1-3-26-28(25,27-4-2)13-19(24)23-10-8-15(9-11-23)20-22-18(14-29-20)16-6-5-7-17(21)12-16/h5-7,12,14-15H,3-4,8-11,13H2,1-2H3