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

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]butanehydrazide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]butanehydrazide CAS Name: 4-(1,3-benzothiazol-2-yl)-N'-[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]butanehydrazide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]butanehydrazide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]butyrohydrazide Formula: C24H30N5O2S+ MolecularWeight: 452.5923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NNC(=O)CCCC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NNC(=O)CCCC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C24H29N5O2S/c30-22(11-6-12-24-25-20-9-4-5-10-21(20)32-24)26-27-23(31)13-14-28-15-17-29(18-16-28)19-7-2-1-3-8-19/h1-5,7-10H,6,11-18H2,(H,26,30)(H,27,31)/p+1