N-(2-methoxyphenyl)-3-nitro-4-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethyl]sulfanyl-benzamide

Systemtic Name: N-(2-methoxyphenyl)-3-nitro-4-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethyl]sulfanyl-benzamide Openeye Name: N-(2-methoxyphenyl)-3-nitro-4-[2-oxo-2-(2-pyridylmethylamino)ethyl]sulfanyl-benzamide CAS Name: N-(2-methoxyphenyl)-3-nitro-4-[[2-oxo-2-(2-pyridinylmethylamino)ethyl]thio]benzamide IUPAC Name: N-(2-methoxyphenyl)-3-nitro-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-(2-pyridylmethylamino)ethyl]thio]-N-(2-methoxyphenyl)-3-nitro-benzamide Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC(=O)NCC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC(=O)NCC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O5S/c1-31-19-8-3-2-7-17(19)25-22(28)15-9-10-20(18(12-15)26(29)30)32-14-21(27)24-13-16-6-4-5-11-23-16/h2-12H,13-14H2,1H3,(H,24,27)(H,25,28)