N'-(3-methylsulfanylpropanoyl)-4-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzohydrazide

Systemtic Name: N'-(3-methylsulfanylpropanoyl)-4-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzohydrazide Openeye Name: 4-(4-benzylpiperazin-1-yl)sulfonyl-N'-(3-methylsulfanylpropanoyl)benzohydrazide CAS Name: N'-[3-(methylthio)-1-oxopropyl]-4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzohydrazide IUPAC Name: 4-(4-benzylpiperazin-1-yl)sulfonyl-N'-(3-methylsulfanylpropanoyl)benzohydrazide Traditional Name: 4-(4-benzylpiperazino)sulfonyl-N'-[3-(methylthio)propanoyl]benzohydrazide Formula: C22H28N4O4S2 MolecularWeight: 476.61212

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CSCCC(=O)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4S2/c1-31-16-11-21(27)23-24-22(28)19-7-9-20(10-8-19)32(29,30)26-14-12-25(13-15-26)17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,23,27)(H,24,28)