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

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3-methyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3-methyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[(3-methyl-4-oxo-6-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(4-keto-3-methyl-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C23H18N4O5S2 MolecularWeight: 494.54282

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4)SC(=C2)C5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4)SC(=C2)C5=CC=CC=C5

InChI

InChI=1S/C23H18N4O5S2/c1-27-21(29)15-10-18(13-5-3-2-4-6-13)34-20(15)26-23(27)33-11-19(28)25-22(30)24-14-7-8-16-17(9-14)32-12-31-16/h2-10H,11-12H2,1H3,(H2,24,25,28,30)