N-(2-azanylethyl)-2-(3-methoxy-4-sulfanyl-phenyl)-N-[(E)-octadec-9-enyl]ethanethioamide

Systemtic Name: N-(2-azanylethyl)-2-(3-methoxy-4-sulfanyl-phenyl)-N-[(E)-octadec-9-enyl]ethanethioamide Openeye Name: N-(2-aminoethyl)-2-(3-methoxy-4-sulfanyl-phenyl)-N-[(E)-octadec-9-enyl]thioacetamide CAS Name: N-(2-aminoethyl)-2-(4-mercapto-3-methoxyphenyl)-N-[(E)-octadec-9-enyl]ethanethioamide IUPAC Name: N-(2-aminoethyl)-2-(3-methoxy-4-sulfanylphenyl)-N-[(E)-octadec-9-enyl]ethanethioamide Traditional Name: N-(2-aminoethyl)-2-(4-mercapto-3-methoxy-phenyl)-N-[(E)-octadec-9-enyl]thioacetamide Formula: C29H50N2OS2 MolecularWeight: 506.8501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN(CCN)C(=S)CC1=CC(=C(C=C1)S)OC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN(CCN)C(=S)CC1=CC(=C(C=C1)S)OC

InChI

InChI=1S/C29H50N2OS2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31(23-21-30)29(34)25-26-19-20-28(33)27(24-26)32-2/h10-11,19-20,24,33H,3-9,12-18,21-23,25,30H2,1-2H3/b11-10+