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

Systemtic Name: N-(2,3-dimethylcyclohexyl)-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-(2,3-dimethylcyclohexyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-(2,3-dimethylcyclohexyl)-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-(2,3-dimethylcyclohexyl)-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C21H28N4O2S/c1-14-5-4-6-18(15(14)2)24-20(27)16-7-9-17(10-8-16)23-19(26)13-28-21-22-11-12-25(21)3/h7-12,14-15,18H,4-6,13H2,1-3H3,(H,23,26)(H,24,27)