2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O3S/c1-2-6-12-11(16)13-9(15)8-18-10-5-3-4-7-14(10)17/h2-5,7H,1,6,8H2,(H2,12,13,15,16)