N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C18H21N3O3S/c1-12-7-6-8-13(2)17(12)20-15(22)11-19-18(23)14(3)25-16-9-4-5-10-21(16)24/h4-10,14H,11H2,1-3H3,(H,19,23)(H,20,22)