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

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(benzylcarbamoyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H17N3O3S/c1-12(23-14-9-5-6-10-19(14)22)15(20)18-16(21)17-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,17,18,20,21)