N-[bis(4-methoxyphenyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[bis(4-methoxyphenyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[bis(4-methoxyphenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[bis(4-methoxyphenyl)methyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[bis(4-methoxyphenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[bis(4-methoxyphenyl)methyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-27-18-10-6-16(7-11-18)22(17-8-12-19(28-2)13-9-17)23-20(25)15-29-21-5-3-4-14-24(21)26/h3-14,22H,15H2,1-2H3,(H,23,25)