N-[4-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[4-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[4-[2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl]sulfanylphenyl]-3,4-dimethoxy-benzamide CAS Name: N-[4-[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]thio]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[4-[2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl]sulfanylphenyl]-3,4-dimethoxybenzamide Traditional Name: N-[4-[[2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl]thio]phenyl]-3,4-dimethoxy-benzamide Formula: C22H20ClN3O4S MolecularWeight: 457.9299

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O4S/c1-29-18-9-3-14(11-19(18)30-2)22(28)25-16-5-7-17(8-6-16)31-13-21(27)26-20-10-4-15(23)12-24-20/h3-12H,13H2,1-2H3,(H,25,28)(H,24,26,27)