N-[3-(3-ethylheptan-3-yl)-1,2-oxazol-5-yl]-2,4,6-trimethyl-benzenecarbothioamide

Systemtic Name: N-[3-(3-ethylheptan-3-yl)-1,2-oxazol-5-yl]-2,4,6-trimethyl-benzenecarbothioamide Openeye Name: N-[3-(1,1-diethylpentyl)isoxazol-5-yl]-2,4,6-trimethyl-benzenecarbothioamide CAS Name: N-[3-(3-ethylheptan-3-yl)-5-isoxazolyl]-2,4,6-trimethylbenzenecarbothioamide IUPAC Name: N-[3-(3-ethylheptan-3-yl)-1,2-oxazol-5-yl]-2,4,6-trimethylbenzenecarbothioamide Traditional Name: N-[3-(1,1-diethylpentyl)isoxazol-5-yl]-2,4,6-trimethyl-thiobenzamide Formula: C22H32N2OS MolecularWeight: 372.56728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CC)C1=NOC(=C1)NC(=S)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCCCC(CC)(CC)C1=NOC(=C1)NC(=S)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C22H32N2OS/c1-7-10-11-22(8-2,9-3)18-14-19(25-24-18)23-21(26)20-16(5)12-15(4)13-17(20)6/h12-14H,7-11H2,1-6H3,(H,23,26)