sodium 2-methyl-2-(3-methylbutyl)-N-oxidanidyl-N'-phenethyl-N'-(pyridin-3-ylmethylcarbamoyl)propanediamide

Systemtic Name: sodium 2-methyl-2-(3-methylbutyl)-N-oxidanidyl-N'-phenethyl-N'-(pyridin-3-ylmethylcarbamoyl)propanediamide Openeye Name: sodium 2-isopentyl-2-methyl-N-oxido-N'-phenethyl-N'-(3-pyridylmethylcarbamoyl)propanediamide CAS Name: sodium 2-methyl-2-(3-methylbutyl)-N-oxido-N'-[oxo-(3-pyridinylmethylamino)methyl]-N'-phenethylpropanediamide IUPAC Name: sodium 2-methyl-2-(3-methylbutyl)-N-oxido-N'-phenethyl-N'-(pyridin-3-ylmethylcarbamoyl)propanediamide Traditional Name: sodium 2-isoamyl-2-methyl-N-oxido-N'-phenethyl-N'-(3-pyridylmethylcarbamoyl)malonamide Formula: C24H31N4NaO4 MolecularWeight: 462.51711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)(C(=O)N[O-])C(=O)N(CCC1=CC=CC=C1)C(=O)NCC2=CN=CC=C2.[Na+]

Isomeric SMILES

CC(C)CCC(C)(C(=O)N[O-])C(=O)N(CCC1=CC=CC=C1)C(=O)NCC2=CN=CC=C2.[Na+]

InChI

InChI=1S/C24H31N4O4.Na/c1-18(2)11-13-24(3,21(29)27-32)22(30)28(15-12-19-8-5-4-6-9-19)23(31)26-17-20-10-7-14-25-16-20;/h4-10,14,16,18H,11-13,15,17H2,1-3H3,(H2-,26,27,29,31,32);/q-1;+1