N1-(3-diethoxyphosphorylpropyl)-N2-(2-sulfanylethyl)benzene-1,2-dicarboxamide

Systemtic Name: N1-(3-diethoxyphosphorylpropyl)-N2-(2-sulfanylethyl)benzene-1,2-dicarboxamide Openeye Name: N1-(3-diethoxyphosphorylpropyl)-N2-(2-sulfanylethyl)phthalamide CAS Name: N1-(3-diethoxyphosphorylpropyl)-N2-(2-mercaptoethyl)benzene-1,2-dicarboxamide IUPAC Name: 1-N-(3-diethoxyphosphorylpropyl)-2-N-(2-sulfanylethyl)benzene-1,2-dicarboxamide Traditional Name: N-(3-diethoxyphosphorylpropyl)-N'-(2-mercaptoethyl)phthalamide Formula: C17H27N2O5PS MolecularWeight: 402.445441

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCNC(=O)C1=CC=CC=C1C(=O)NCCS)OCC

Isomeric SMILES

CCOP(=O)(CCCNC(=O)C1=CC=CC=C1C(=O)NCCS)OCC

InChI

InChI=1S/C17H27N2O5PS/c1-3-23-25(22,24-4-2)12-7-10-18-16(20)14-8-5-6-9-15(14)17(21)19-11-13-26/h5-6,8-9,26H,3-4,7,10-13H2,1-2H3,(H,18,20)(H,19,21)