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

Systemtic Name: N-(phenylmethyl)-2-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-benzyl-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-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-benzyl-2-[[2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C25H27N4O3S+ MolecularWeight: 463.57188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H26N4O3S/c30-23(18-28-12-14-29(15-13-28)25(32)22-11-6-16-33-22)27-21-10-5-4-9-20(21)24(31)26-17-19-7-2-1-3-8-19/h1-11,16H,12-15,17-18H2,(H,26,31)(H,27,30)/p+1