N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]ethanethioamide

Systemtic Name: N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]ethanethioamide Openeye Name: N-[(E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]thioacetamide CAS Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]ethanethioamide IUPAC Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]ethanethioamide Traditional Name: N-[(E)-2-hydroxy-1-methylol-heptadec-3-enyl]thioacetamide Formula: C20H39NO2S MolecularWeight: 357.59416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=S)C)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(CO)NC(=S)C)O

InChI

InChI=1S/C20H39NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)19(17-22)21-18(2)24/h15-16,19-20,22-23H,3-14,17H2,1-2H3,(H,21,24)/b16-15+