4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzamide

Systemtic Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzamide Openeye Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzamide CAS Name: 4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]benzamide IUPAC Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzamide Traditional Name: 4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzamide Formula: C23H28N7O2S+ MolecularWeight: 466.57912

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC(=O)CSC4=NC=CN4C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC(=O)CSC4=NC=CN4C

InChI

InChI=1S/C23H27N7O2S/c1-28-11-13-30(14-12-28)20-8-7-19(15-25-20)27-22(32)17-3-5-18(6-4-17)26-21(31)16-33-23-24-9-10-29(23)2/h3-10,15H,11-14,16H2,1-2H3,(H,26,31)(H,27,32)/p+1