N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]acetamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CN=C(C=C2)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CN=C(C=C2)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N4O5S/c26-18(24-21(28)23-15-4-5-16-17(11-15)30-10-9-29-16)13-31-19-6-3-14(12-22-19)20(27)25-7-1-2-8-25/h3-6,11-12H,1-2,7-10,13H2,(H2,23,24,26,28)