2,6-dimethoxy-N-[4-[2-oxidanylidene-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]benzamide

Systemtic Name: 2,6-dimethoxy-N-[4-[2-oxidanylidene-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]benzamide Openeye Name: 2,6-dimethoxy-N-[4-[2-oxo-2-(4-pyridylamino)ethyl]sulfanylphenyl]benzamide CAS Name: 2,6-dimethoxy-N-[4-[[2-oxo-2-(pyridin-4-ylamino)ethyl]thio]phenyl]benzamide IUPAC Name: 2,6-dimethoxy-N-[4-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]benzamide Traditional Name: N-[4-[[2-keto-2-(4-pyridylamino)ethyl]thio]phenyl]-2,6-dimethoxy-benzamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=NC=C3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=NC=C3

InChI

InChI=1S/C22H21N3O4S/c1-28-18-4-3-5-19(29-2)21(18)22(27)25-15-6-8-17(9-7-15)30-14-20(26)24-16-10-12-23-13-11-16/h3-13H,14H2,1-2H3,(H,25,27)(H,23,24,26)