N-(cyclohexylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(cyclohexylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(cyclohexylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(cyclohexylcarbamoyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCCC1)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H21N3O3S/c1-11(22-13-9-5-6-10-18(13)21)14(19)17-15(20)16-12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H2,16,17,19,20)