4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide

Systemtic Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Openeye Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide CAS Name: 4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]benzamide IUPAC Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Traditional Name: 4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Formula: C24H34N5O3S+ MolecularWeight: 472.62346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCC3(CCCCC3)[NH+]4CCOCC4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCC3(CCCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C24H33N5O3S/c1-28-12-11-25-23(28)33-17-21(30)27-20-7-5-19(6-8-20)22(31)26-18-24(9-3-2-4-10-24)29-13-15-32-16-14-29/h5-8,11-12H,2-4,9-10,13-18H2,1H3,(H,26,31)(H,27,30)/p+1