N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2,6-diethylphenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2,6-diethylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2,6-diethylphenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-(2,6-diethylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2,6-diethylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: 2-[[1-(2,6-diethylphenyl)imidazol-2-yl]thio]-N-piperonyl-acetamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C=CN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C=CN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H25N3O3S/c1-3-17-6-5-7-18(4-2)22(17)26-11-10-24-23(26)30-14-21(27)25-13-16-8-9-19-20(12-16)29-15-28-19/h5-12H,3-4,13-15H2,1-2H3,(H,25,27)