N-(3-methylbutylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(isoamylcarbamoyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)CSC1=CC=CC=[N+]1[O-]

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)CSC1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C13H19N3O3S/c1-10(2)6-7-14-13(18)15-11(17)9-20-12-5-3-4-8-16(12)19/h3-5,8,10H,6-7,9H2,1-2H3,(H2,14,15,17,18)