2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)ethanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)ethanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[2-(2-thienyl)ethylcarbamoyl]acetamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[oxo-(2-thiophen-2-ylethylamino)methyl]acetamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-[2-(2-thienyl)ethylcarbamoyl]acetamide Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NC(=O)NCCC2=CC=CS2)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NC(=O)NCCC2=CC=CS2)[O-]

InChI

InChI=1S/C14H15N3O3S2/c18-12(10-22-13-5-1-2-8-17(13)20)16-14(19)15-7-6-11-4-3-9-21-11/h1-5,8-9H,6-7,10H2,(H2,15,16,18,19)