2-acetamido-N-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-3-(2-methylquinolin-4-yl)sulfanyl-propanamide

Systemtic Name: 2-acetamido-N-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-3-(2-methylquinolin-4-yl)sulfanyl-propanamide Openeye Name: 2-acetamido-N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-3-[(2-methyl-4-quinolyl)sulfanyl]propanamide CAS Name: 2-acetamido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[(2-methyl-4-quinolinyl)thio]propanamide IUPAC Name: 2-acetamido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-methylquinolin-4-yl)sulfanylpropanamide Traditional Name: 2-acetamido-N-(2-hydroxy-1,1-dimethylol-ethyl)-3-[(2-methyl-4-quinolyl)thio]propionamide Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)SCC(C(=O)NC(CO)(CO)CO)NC(=O)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)SCC(C(=O)NC(CO)(CO)CO)NC(=O)C

InChI

InChI=1S/C19H25N3O5S/c1-12-7-17(14-5-3-4-6-15(14)20-12)28-8-16(21-13(2)26)18(27)22-19(9-23,10-24)11-25/h3-7,16,23-25H,8-11H2,1-2H3,(H,21,26)(H,22,27)