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

Systemtic Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(2,4-dimethylanilino)-oxomethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)CSC2=CC=CC=[N+]2[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)CSC2=CC=CC=[N+]2[O-])C

InChI

InChI=1S/C16H17N3O3S/c1-11-6-7-13(12(2)9-11)17-16(21)18-14(20)10-23-15-5-3-4-8-19(15)22/h3-9H,10H2,1-2H3,(H2,17,18,20,21)