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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide Formula: C20H18N4O5S2 MolecularWeight: 458.51072

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4)SC=C2

InChI

InChI=1S/C20H18N4O5S2/c1-2-6-24-18(26)13-5-9-30-17(13)23-20(24)31-11-16(25)22-19(27)21-12-3-4-14-15(10-12)29-8-7-28-14/h2-5,9-10H,1,6-8,11H2,(H2,21,22,25,27)