N-[[1-(dimethylamino)cycloheptyl]methyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C23H33N5O2S MolecularWeight: 443.60542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCC3(CCCCCC3)N(C)C

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCC3(CCCCCC3)N(C)C

InChI

InChI=1S/C23H33N5O2S/c1-27(2)23(12-6-4-5-7-13-23)17-25-21(30)18-8-10-19(11-9-18)26-20(29)16-31-22-24-14-15-28(22)3/h8-11,14-15H,4-7,12-13,16-17H2,1-3H3,(H,25,30)(H,26,29)