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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CC)CC1=NOC(=C1)NC(=S)C2=C(C=CC=C2OC)OC

Isomeric SMILES

CCCCC(CC)(CC)CC1=NOC(=C1)NC(=S)C2=C(C=CC=C2OC)OC

InChI

InChI=1S/C22H32N2O3S/c1-6-9-13-22(7-2,8-3)15-16-14-19(27-24-16)23-21(28)20-17(25-4)11-10-12-18(20)26-5/h10-12,14H,6-9,13,15H2,1-5H3,(H,23,28)