N-[3-(3-ethylhexan-3-yl)-1,2-oxazol-5-yl]-2,6-dimethoxy-benzenecarbothioamide

Systemtic Name: N-[3-(3-ethylhexan-3-yl)-1,2-oxazol-5-yl]-2,6-dimethoxy-benzenecarbothioamide Openeye Name: N-[3-(1,1-diethylbutyl)isoxazol-5-yl]-2,6-dimethoxy-benzenecarbothioamide CAS Name: N-[3-(3-ethylhexan-3-yl)-5-isoxazolyl]-2,6-dimethoxybenzenecarbothioamide IUPAC Name: N-[3-(3-ethylhexan-3-yl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzenecarbothioamide Traditional Name: N-[3-(1,1-diethylbutyl)isoxazol-5-yl]-2,6-dimethoxy-thiobenzamide Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)(CC)C1=NOC(=C1)NC(=S)C2=C(C=CC=C2OC)OC

Isomeric SMILES

CCCC(CC)(CC)C1=NOC(=C1)NC(=S)C2=C(C=CC=C2OC)OC

InChI

InChI=1S/C20H28N2O3S/c1-6-12-20(7-2,8-3)16-13-17(25-22-16)21-19(26)18-14(23-4)10-9-11-15(18)24-5/h9-11,13H,6-8,12H2,1-5H3,(H,21,26)