N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C17H17N3O2S2 MolecularWeight: 359.46578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H17N3O2S2/c1-12(17-18-13-7-3-4-8-14(13)24-17)19(2)15(21)11-23-16-9-5-6-10-20(16)22/h3-10,12H,11H2,1-2H3/t12-/m1/s1