N-(5-octyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide CAS Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(S1)NC(=O)CC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCCCCCCCC1=NN=C(S1)NC(=O)CC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H31N3O4S/c1-5-6-7-8-9-10-11-19-23-24-21(29-19)22-18(25)14-15-12-16(26-2)20(28-4)17(13-15)27-3/h12-13H,5-11,14H2,1-4H3,(H,22,24,25)