N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C25H21N3O4S2 MolecularWeight: 491.58194

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC4=C(C=C3)OCCO4)SC=C2C5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC4=C(C=C3)OCCO4)SC=C2C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O4S2/c1-2-10-28-24(30)22-18(16-6-4-3-5-7-16)14-33-23(22)27-25(28)34-15-21(29)26-17-8-9-19-20(13-17)32-12-11-31-19/h2-9,13-14H,1,10-12,15H2,(H,26,29)