N'-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-(4-phenylpiperazin-1-yl)butanehydrazide

Systemtic Name: N'-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-(4-phenylpiperazin-1-yl)butanehydrazide Openeye Name: N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(4-phenylpiperazin-1-yl)butanehydrazide CAS Name: N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(4-phenyl-1-piperazinyl)butanehydrazide IUPAC Name: N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(4-phenylpiperazin-1-yl)butanehydrazide Traditional Name: N'-(1,1-diketo-1,2-benzothiazol-3-yl)-2-(4-phenylpiperazino)butyrohydrazide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NNC1=NS(=O)(=O)C2=CC=CC=C21)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NNC1=NS(=O)(=O)C2=CC=CC=C21)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O3S/c1-2-18(26-14-12-25(13-15-26)16-8-4-3-5-9-16)21(27)23-22-20-17-10-6-7-11-19(17)30(28,29)24-20/h3-11,18H,2,12-15H2,1H3,(H,22,24)(H,23,27)