2-[2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxamide

Systemtic Name: 2-[2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxamide Openeye Name: 2-[2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxamide CAS Name: 2-[[2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarboxamide IUPAC Name: 2-[2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide Traditional Name: 2-[[2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-keto-ethyl]thio]-4,6-dimethyl-nicotinamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)N)SCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)N)SCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C21H22N4O4S/c1-13-10-14(2)24-21(19(13)20(23)27)30-12-18(26)25(7-3-6-22)15-4-5-16-17(11-15)29-9-8-28-16/h4-5,10-11H,3,7-9,12H2,1-2H3,(H2,23,27)