N-[[(2S)-butan-2-yl]carbamoyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3S/c1-3-9(2)13-12(17)14-10(16)8-19-11-6-4-5-7-15(11)18/h4-7,9H,3,8H2,1-2H3,(H2,13,14,16,17)/t9-/m0/s1