N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=CC=CC=[N+]3[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=CC=CC=[N+]3[O-])OC

InChI

InChI=1S/C18H17N3O4S2/c1-24-14-7-6-12(9-15(14)25-2)13-10-27-18(19-13)20-16(22)11-26-17-5-3-4-8-21(17)23/h3-10H,11H2,1-2H3,(H,19,20,22)