N-phenyl-2-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-phenyl-2-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-phenyl-2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[1-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]ethyl]amino]-N-phenylbenzamide IUPAC Name: N-phenyl-2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-phenyl-2-[[2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C24H25N4O3S+ MolecularWeight: 449.5453

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C24H24N4O3S/c29-22(17-27-12-14-28(15-13-27)24(31)21-11-6-16-32-21)26-20-10-5-4-9-19(20)23(30)25-18-7-2-1-3-8-18/h1-11,16H,12-15,17H2,(H,25,30)(H,26,29)/p+1