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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(o-tolyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-(2-methylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: 2-[[1-(o-tolyl)imidazol-2-yl]thio]-N-piperonyl-acetamide Formula: C20H19N3O3S MolecularWeight: 381.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N3O3S/c1-14-4-2-3-5-16(14)23-9-8-21-20(23)27-12-19(24)22-11-15-6-7-17-18(10-15)26-13-25-17/h2-10H,11-13H2,1H3,(H,22,24)