2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C24H26N4O2S/c29-23(19-31-24-8-4-5-13-28(24)30)25-21-9-11-22(12-10-21)27-16-14-26(15-17-27)18-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,25,29)