2-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]ethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Formula: C16H19N4O3S2+ MolecularWeight: 379.47706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C(=O)N)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C(=O)N)C(=O)C3=CC=CS3

InChI

InChI=1S/C16H18N4O3S2/c17-14(22)11-3-9-25-15(11)18-13(21)10-19-4-6-20(7-5-19)16(23)12-2-1-8-24-12/h1-3,8-9H,4-7,10H2,(H2,17,22)(H,18,21)/p+1