3-(4-phenylpiperazin-1-ium-1-yl)-N'-(2-phenylsulfanylethanoyl)propanehydrazide

Systemtic Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N'-(2-phenylsulfanylethanoyl)propanehydrazide Openeye Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N'-(2-phenylsulfanylacetyl)propanehydrazide CAS Name: N'-[1-oxo-2-(phenylthio)ethyl]-3-(4-phenyl-1-piperazin-1-iumyl)propanehydrazide IUPAC Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N'-(2-phenylsulfanylacetyl)propanehydrazide Traditional Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N'-[2-(phenylthio)acetyl]propionohydrazide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NNC(=O)CSC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NNC(=O)CSC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2S/c26-20(22-23-21(27)17-28-19-9-5-2-6-10-19)11-12-24-13-15-25(16-14-24)18-7-3-1-4-8-18/h1-10H,11-17H2,(H,22,26)(H,23,27)/p+1