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

Systemtic Name: N-[5-(3-ethyloctan-3-yl)-1,2-oxazol-3-yl]-2,6-dimethoxy-benzenecarbothioamide Openeye Name: N-[5-(1,1-diethylhexyl)isoxazol-3-yl]-2,6-dimethoxy-benzenecarbothioamide CAS Name: N-[5-(3-ethyloctan-3-yl)-3-isoxazolyl]-2,6-dimethoxybenzenecarbothioamide IUPAC Name: N-[5-(3-ethyloctan-3-yl)-1,2-oxazol-3-yl]-2,6-dimethoxybenzenecarbothioamide Traditional Name: N-[5-(1,1-diethylhexyl)isoxazol-3-yl]-2,6-dimethoxy-thiobenzamide Formula: C22H32N2O3S MolecularWeight: 404.56608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)(CC)C1=CC(=NO1)NC(=S)C2=C(C=CC=C2OC)OC

Isomeric SMILES

CCCCCC(CC)(CC)C1=CC(=NO1)NC(=S)C2=C(C=CC=C2OC)OC

InChI

InChI=1S/C22H32N2O3S/c1-6-9-10-14-22(7-2,8-3)18-15-19(24-27-18)23-21(28)20-16(25-4)12-11-13-17(20)26-5/h11-13,15H,6-10,14H2,1-5H3,(H,23,24,28)