2,6-diethoxy-N-[3-(4-ethylnonan-4-yl)-1,2,4-oxadiazol-5-yl]benzenecarbothioamide

Systemtic Name: 2,6-diethoxy-N-[3-(4-ethylnonan-4-yl)-1,2,4-oxadiazol-5-yl]benzenecarbothioamide Openeye Name: 2,6-diethoxy-N-[3-(1-ethyl-1-propyl-hexyl)-1,2,4-oxadiazol-5-yl]benzenecarbothioamide CAS Name: 2,6-diethoxy-N-[3-(4-ethylnonan-4-yl)-1,2,4-oxadiazol-5-yl]benzenecarbothioamide IUPAC Name: 2,6-diethoxy-N-[3-(4-ethylnonan-4-yl)-1,2,4-oxadiazol-5-yl]benzenecarbothioamide Traditional Name: 2,6-diethoxy-N-[3-(1-ethyl-1-propyl-hexyl)-1,2,4-oxadiazol-5-yl]thiobenzamide Formula: C24H37N3O3S MolecularWeight: 447.63388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)(CCC)C1=NOC(=N1)NC(=S)C2=C(C=CC=C2OCC)OCC

Isomeric SMILES

CCCCCC(CC)(CCC)C1=NOC(=N1)NC(=S)C2=C(C=CC=C2OCC)OCC

InChI

InChI=1S/C24H37N3O3S/c1-6-11-12-17-24(8-3,16-7-2)22-26-23(30-27-22)25-21(31)20-18(28-9-4)14-13-15-19(20)29-10-5/h13-15H,6-12,16-17H2,1-5H3,(H,25,26,27,31)