N-dimorpholin-4-ylphosphinothioyl-1-(2-ethanoylphenyl)pyrrole-2-carboxamide

Systemtic Name: N-dimorpholin-4-ylphosphinothioyl-1-(2-ethanoylphenyl)pyrrole-2-carboxamide Openeye Name: 1-(2-acetylphenyl)-N-dimorpholinophosphinothioyl-pyrrole-2-carboxamide CAS Name: 1-(2-acetylphenyl)-N-[bis(4-morpholinyl)phosphinothioyl]-2-pyrrolecarboxamide IUPAC Name: 1-(2-acetylphenyl)-N-dimorpholin-4-ylphosphinothioylpyrrole-2-carboxamide Traditional Name: 1-(2-acetylphenyl)-N-dimorpholinothiophosphoryl-pyrrole-2-carboxamide Formula: C21H27N4O4PS MolecularWeight: 462.502241

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1N2C=CC=C2C(=O)NP(=S)(N3CCOCC3)N4CCOCC4

Isomeric SMILES

CC(=O)C1=CC=CC=C1N2C=CC=C2C(=O)NP(=S)(N3CCOCC3)N4CCOCC4

InChI

InChI=1S/C21H27N4O4PS/c1-17(26)18-5-2-3-6-19(18)25-8-4-7-20(25)21(27)22-30(31,23-9-13-28-14-10-23)24-11-15-29-16-12-24/h2-8H,9-16H2,1H3,(H,22,27,31)