N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]thio]acetamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)NCC3COC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)NCC3COC4=CC=CC=C4O3)C

InChI

InChI=1S/C22H23N3O3S/c1-15-6-5-7-18(16(15)2)25-11-10-23-22(25)29-14-21(26)24-12-17-13-27-19-8-3-4-9-20(19)28-17/h3-11,17H,12-14H2,1-2H3,(H,24,26)