N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(6-ethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(6-ethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[(6-ethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide Formula: C21H20N4O5S2 MolecularWeight: 472.5373

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N4O5S2/c1-3-7-25-19(27)14-9-13(4-2)32-18(14)24-21(25)31-10-17(26)23-20(28)22-12-5-6-15-16(8-12)30-11-29-15/h3,5-6,8-9H,1,4,7,10-11H2,2H3,(H2,22,23,26,28)