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

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(benzylcarbamoyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C15H15N3O3S MolecularWeight: 317.3629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H15N3O3S/c19-13(11-22-14-8-4-5-9-18(14)21)17-15(20)16-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,16,17,19,20)