2-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentyl-benzenecarbothioamide

Systemtic Name: 2-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentyl-benzenecarbothioamide Openeye Name: 2-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentyl-benzenecarbothioamide CAS Name: 2-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentylbenzenecarbothioamide IUPAC Name: 2-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-3-pentylbenzenecarbothioamide Traditional Name: 3-amyl-2-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-thiobenzamide Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC(=C1CCC2=CC=C(C=C2)O)C(=S)N)OC

Isomeric SMILES

CCCCCC1=C(C=CC(=C1CCC2=CC=C(C=C2)O)C(=S)N)OC

InChI

InChI=1S/C21H27NO2S/c1-3-4-5-6-18-17(12-9-15-7-10-16(23)11-8-15)19(21(22)25)13-14-20(18)24-2/h7-8,10-11,13-14,23H,3-6,9,12H2,1-2H3,(H2,22,25)