N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-(4-ethoxyphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-piperonyl-2-[(1-p-phenetylimidazol-2-yl)thio]acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=CN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=CN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O4S/c1-2-26-17-6-4-16(5-7-17)24-10-9-22-21(24)29-13-20(25)23-12-15-3-8-18-19(11-15)28-14-27-18/h3-11H,2,12-14H2,1H3,(H,23,25)