4-(3-diethoxyphosphorylpropoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-(3-diethoxyphosphorylpropoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(3-diethoxyphosphorylpropoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(3-diethoxyphosphorylpropoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(3-diethoxyphosphorylpropoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(3-diethoxyphosphorylpropoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide Formula: C22H27N2O6PS MolecularWeight: 478.498341

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCOC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=CC=C3S2)OC)OCC

Isomeric SMILES

CCOP(=O)(CCCOC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=CC=C3S2)OC)OCC

InChI

InChI=1S/C22H27N2O6PS/c1-4-29-31(26,30-5-2)15-7-14-28-17-12-10-16(11-13-17)21(25)24-22-23-20-18(27-3)8-6-9-19(20)32-22/h6,8-13H,4-5,7,14-15H2,1-3H3,(H,23,24,25)