2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C25H30N5OS+ MolecularWeight: 448.6036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)NC3=CC=CC=C3N4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)NC3=CC=CC=C3N4CC[NH+](CC4)C)C

InChI

InChI=1S/C25H29N5OS/c1-18-16-19(2)27-25(26-18)32-17-20-8-4-5-9-21(20)24(31)28-22-10-6-7-11-23(22)30-14-12-29(3)13-15-30/h4-11,16H,12-15,17H2,1-3H3,(H,28,31)/p+1