N'-[2-(2-methylphenyl)sulfanylethanoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide

Systemtic Name: N'-[2-(2-methylphenyl)sulfanylethanoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide Openeye Name: N'-[2-(o-tolylsulfanyl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide CAS Name: N'-[2-[(2-methylphenyl)thio]-1-oxoethyl]-3-(4-phenyl-1-piperazin-1-iumyl)propanehydrazide IUPAC Name: N'-[2-(2-methylphenyl)sulfanylacetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide Traditional Name: N'-[2-(o-tolylthio)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propionohydrazide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2S/c1-18-7-5-6-10-20(18)29-17-22(28)24-23-21(27)11-12-25-13-15-26(16-14-25)19-8-3-2-4-9-19/h2-10H,11-17H2,1H3,(H,23,27)(H,24,28)/p+1