N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H22N6O2S/c1-28-13-12-24-22(28)31-14-20(29)25-16-8-6-15(7-9-16)21(30)23-11-10-19-26-17-4-2-3-5-18(17)27-19/h2-9,12-13H,10-11,14H2,1H3,(H,23,30)(H,25,29)(H,26,27)