4-(diethoxyphosphorylmethyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-(diethoxyphosphorylmethyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(diethoxyphosphorylmethyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(diethoxyphosphorylmethyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(diethoxyphosphorylmethyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(diethoxyphosphorylmethyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide Formula: C21H25N2O6PS MolecularWeight: 464.471761

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=C(C=C3S2)OC)OC)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=C(C=C3S2)OC)OC)OCC

InChI

InChI=1S/C21H25N2O6PS/c1-5-28-30(25,29-6-2)13-14-7-9-15(10-8-14)20(24)23-21-22-19-17(27-4)11-16(26-3)12-18(19)31-21/h7-12H,5-6,13H2,1-4H3,(H,22,23,24)