2,6-dimethoxy-N-[3-(3-methyloct-5-yn-3-yl)-1,2,4-oxadiazol-5-yl]benzenecarbothioamide

Systemtic Name: 2,6-dimethoxy-N-[3-(3-methyloct-5-yn-3-yl)-1,2,4-oxadiazol-5-yl]benzenecarbothioamide Openeye Name: N-[3-(1-ethyl-1-methyl-hex-3-ynyl)-1,2,4-oxadiazol-5-yl]-2,6-dimethoxy-benzenecarbothioamide CAS Name: 2,6-dimethoxy-N-[3-(3-methyloct-5-yn-3-yl)-1,2,4-oxadiazol-5-yl]benzenecarbothioamide IUPAC Name: 2,6-dimethoxy-N-[3-(3-methyloct-5-yn-3-yl)-1,2,4-oxadiazol-5-yl]benzenecarbothioamide Traditional Name: N-[3-(1-ethyl-1-methyl-hex-3-ynyl)-1,2,4-oxadiazol-5-yl]-2,6-dimethoxy-thiobenzamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCC(C)(CC)C1=NOC(=N1)NC(=S)C2=C(C=CC=C2OC)OC

Isomeric SMILES

CCC#CCC(C)(CC)C1=NOC(=N1)NC(=S)C2=C(C=CC=C2OC)OC

InChI

InChI=1S/C20H25N3O3S/c1-6-8-9-13-20(3,7-2)18-22-19(26-23-18)21-17(27)16-14(24-4)11-10-12-15(16)25-5/h10-12H,6-7,13H2,1-5H3,(H,21,22,23,27)