2-[(4-cyanophenyl)methylsulfanyl]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C26H27N4OS+ MolecularWeight: 443.58378

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H26N4OS/c1-29-14-16-30(17-15-29)23-12-10-22(11-13-23)28-26(31)24-4-2-3-5-25(24)32-19-21-8-6-20(18-27)7-9-21/h2-13H,14-17,19H2,1H3,(H,28,31)/p+1