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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]thio]-N-piperonyl-acetamide Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N3O5S/c25-20(23-9-13-1-3-16-18(7-13)28-11-26-16)10-30-21-22-6-5-15(24-21)14-2-4-17-19(8-14)29-12-27-17/h1-8H,9-12H2,(H,23,25)