N-(3,5-dimethylphenyl)-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-(3,5-dimethylphenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-(3,5-dimethylphenyl)-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(3,5-dimethylphenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-(3,5-dimethylphenyl)-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C)C

InChI

InChI=1S/C21H22N4O2S/c1-14-10-15(2)12-18(11-14)24-20(27)16-4-6-17(7-5-16)23-19(26)13-28-21-22-8-9-25(21)3/h4-12H,13H2,1-3H3,(H,23,26)(H,24,27)