N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-[(2,4-dimethylanilino)-oxomethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c1-11-7-8-14(12(2)10-11)18-17(22)19-16(21)13(3)24-15-6-4-5-9-20(15)23/h4-10,13H,1-3H3,(H2,18,19,21,22)