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

Systemtic Name: N-(6-bromanyl-4-ethanoyl-1,3-benzothiazol-2-yl)-4-(diethoxyphosphorylmethyl)benzamide Openeye Name: N-(4-acetyl-6-bromo-1,3-benzothiazol-2-yl)-4-(diethoxyphosphorylmethyl)benzamide CAS Name: N-(4-acetyl-6-bromo-1,3-benzothiazol-2-yl)-4-(diethoxyphosphorylmethyl)benzamide IUPAC Name: N-(4-acetyl-6-bromo-1,3-benzothiazol-2-yl)-4-(diethoxyphosphorylmethyl)benzamide Traditional Name: N-(4-acetyl-6-bromo-1,3-benzothiazol-2-yl)-4-(diethoxyphosphorylmethyl)benzamide Formula: C21H22BrN2O5PS MolecularWeight: 525.352541

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3C(=O)C)Br)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3C(=O)C)Br)OCC

InChI

InChI=1S/C21H22BrN2O5PS/c1-4-28-30(27,29-5-2)12-14-6-8-15(9-7-14)20(26)24-21-23-19-17(13(3)25)10-16(22)11-18(19)31-21/h6-11H,4-5,12H2,1-3H3,(H,23,24,26)