N-(4-bromanyl-2-methyl-phenyl)-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-(4-bromo-2-methylphenyl)-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(4-bromo-2-methylphenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C20H19BrN4O2S MolecularWeight: 459.35946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O2S/c1-13-11-15(21)5-8-17(13)24-19(27)14-3-6-16(7-4-14)23-18(26)12-28-20-22-9-10-25(20)2/h3-11H,12H2,1-2H3,(H,23,26)(H,24,27)