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

Systemtic Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-2-imidazolyl]thio]-N-phenethylacetamide IUPAC Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: N-phenethyl-2-[(1-piperonylimidazol-2-yl)thio]acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C=CN=C3SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C=CN=C3SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S/c25-20(22-9-8-16-4-2-1-3-5-16)14-28-21-23-10-11-24(21)13-17-6-7-18-19(12-17)27-15-26-18/h1-7,10-12H,8-9,13-15H2,(H,22,25)