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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methyl-4-oxo-6-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-3-methyl-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-piperonyl-acetamide Formula: C23H19N3O4S2 MolecularWeight: 465.54466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4)SC(=C2)C5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4)SC(=C2)C5=CC=CC=C5

InChI

InChI=1S/C23H19N3O4S2/c1-26-22(28)16-10-19(15-5-3-2-4-6-15)32-21(16)25-23(26)31-12-20(27)24-11-14-7-8-17-18(9-14)30-13-29-17/h2-10H,11-13H2,1H3,(H,24,27)