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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-methyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[[4-keto-3-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-piperonyl-acetamide Formula: C21H17N3O4S3 MolecularWeight: 471.57238

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4)SC=C2C5=CC=CS5

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4)SC=C2C5=CC=CS5

InChI

InChI=1S/C21H17N3O4S3/c1-24-20(26)18-13(16-3-2-6-29-16)9-30-19(18)23-21(24)31-10-17(25)22-8-12-4-5-14-15(7-12)28-11-27-14/h2-7,9H,8,10-11H2,1H3,(H,22,25)