N-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-[[1-(2,4-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]thio]acetyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)NC(=O)C3COC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)NC(=O)C3COC4=CC=CC=C4O3)C

InChI

InChI=1S/C22H21N3O4S/c1-14-7-8-16(15(2)11-14)25-10-9-23-22(25)30-13-20(26)24-21(27)19-12-28-17-5-3-4-6-18(17)29-19/h3-11,19H,12-13H2,1-2H3,(H,24,26,27)