N-(1,3-benzodioxol-5-ylmethyl)-2-(5-ethyl-6-methyl-2-propan-2-yl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-ethyl-6-methyl-2-propan-2-yl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-ethyl-2-isopropyl-6-methyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-ethyl-6-methyl-2-propan-2-yl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-ethyl-6-methyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: 2-[(5-ethyl-2-isopropyl-6-methyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-piperonyl-acetamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=NC(=N2)C(C)C)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCC1=C(SC2=C1C(=NC(=N2)C(C)C)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H25N3O3S2/c1-5-15-13(4)30-22-19(15)21(24-20(25-22)12(2)3)29-10-18(26)23-9-14-6-7-16-17(8-14)28-11-27-16/h6-8,12H,5,9-11H2,1-4H3,(H,23,26)