2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C24H29N4O2S+ MolecularWeight: 437.57766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NC3=CC=CC=C3N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NC3=CC=CC=C3N4CC[NH+](CC4)C

InChI

InChI=1S/C24H28N4O2S/c1-17-20(18(2)30-26-17)16-31-23-11-7-4-8-19(23)24(29)25-21-9-5-6-10-22(21)28-14-12-27(3)13-15-28/h4-11H,12-16H2,1-3H3,(H,25,29)/p+1