N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: 2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]-N-piperonyl-acetamide Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=NC4=C3C(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=NC4=C3C(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C22H17N3O3S2/c26-19(23-9-14-6-7-17-18(8-14)28-13-27-17)11-30-22-20-16(15-4-2-1-3-5-15)10-29-21(20)24-12-25-22/h1-8,10,12H,9,11,13H2,(H,23,26)