N'-[2-(3,4-dimethylphenyl)sulfanylethanoyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzohydrazide

Systemtic Name: N'-[2-(3,4-dimethylphenyl)sulfanylethanoyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzohydrazide Openeye Name: N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzohydrazide CAS Name: N'-[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzohydrazide IUPAC Name: N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzohydrazide Traditional Name: N'-[2-[(3,4-dimethylphenyl)thio]acetyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzohydrazide Formula: C22H29N4O4S2+ MolecularWeight: 477.62006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C22H28N4O4S2/c1-16-4-7-19(14-17(16)2)31-15-21(27)23-24-22(28)18-5-8-20(9-6-18)32(29,30)26-12-10-25(3)11-13-26/h4-9,14H,10-13,15H2,1-3H3,(H,23,27)(H,24,28)/p+1