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2-(2,3-dimethylphenoxy)-N-[2-(octadecylamino)ethyl]ethanethioamide

2-(2,3-dimethylphenoxy)-N-[2-(octadecylamino)ethyl]ethanethioamide

Systemtic Name:2-(2,3-dimethylphenoxy)-N-[2-(octadecylamino)ethyl]ethanethioamide
Openeye Name:2-(2,3-dimethylphenoxy)-N-[2-(octadecylamino)ethyl]thioacetamide
CAS Name:2-(2,3-dimethylphenoxy)-N-[2-(octadecylamino)ethyl]ethanethioamide
IUPAC Name:2-(2,3-dimethylphenoxy)-N-[2-(octadecylamino)ethyl]ethanethioamide
Traditional Name:2-(2,3-dimethylphenoxy)-N-[2-(stearylamino)ethyl]thioacetamide
Formula: C30H54N2OS
MolecularWeight: 490.82756
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNCCNC(=S)COC1=CC=CC(=C1C)C


Isomeric SMILES

CCCCCCCCCCCCCCCCCCNCCNC(=S)COC1=CC=CC(=C1C)C


InChI

InChI=1S/C30H54N2OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31-24-25-32-30(34)26-33-29-22-20-21-27(2)28(29)3/h20-22,31H,4-19,23-26H2,1-3H3,(H,32,34)


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