N-[3-(3-ethyloctan-3-yl)-1,2-oxazol-5-yl]-4-iodanyl-benzenecarbothioamide

Systemtic Name: N-[3-(3-ethyloctan-3-yl)-1,2-oxazol-5-yl]-4-iodanyl-benzenecarbothioamide Openeye Name: N-[3-(1,1-diethylhexyl)isoxazol-5-yl]-4-iodo-benzenecarbothioamide CAS Name: N-[3-(3-ethyloctan-3-yl)-5-isoxazolyl]-4-iodobenzenecarbothioamide IUPAC Name: N-[3-(3-ethyloctan-3-yl)-1,2-oxazol-5-yl]-4-iodobenzenecarbothioamide Traditional Name: N-[3-(1,1-diethylhexyl)isoxazol-5-yl]-4-iodo-thiobenzamide Formula: C20H27IN2OS MolecularWeight: 470.41065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)(CC)C1=NOC(=C1)NC(=S)C2=CC=C(C=C2)I

Isomeric SMILES

CCCCCC(CC)(CC)C1=NOC(=C1)NC(=S)C2=CC=C(C=C2)I

InChI

InChI=1S/C20H27IN2OS/c1-4-7-8-13-20(5-2,6-3)17-14-18(24-23-17)22-19(25)15-9-11-16(21)12-10-15/h9-12,14H,4-8,13H2,1-3H3,(H,22,25)