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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)acetamide Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4)SC=C2

InChI

InChI=1S/C18H15N3O4S2/c1-2-6-21-17(23)12-5-7-26-16(12)20-18(21)27-9-15(22)19-11-3-4-13-14(8-11)25-10-24-13/h2-5,7-8H,1,6,9-10H2,(H,19,22)