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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[3-allyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-3-prop-2-enyl-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[[3-allyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-piperonyl-acetamide Formula: C23H19N3O4S3 MolecularWeight: 497.60966

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4)SC=C2C5=CC=CS5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4)SC=C2C5=CC=CS5

InChI

InChI=1S/C23H19N3O4S3/c1-2-7-26-22(28)20-15(18-4-3-8-31-18)11-32-21(20)25-23(26)33-12-19(27)24-10-14-5-6-16-17(9-14)30-13-29-16/h2-6,8-9,11H,1,7,10,12-13H2,(H,24,27)