N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC4=C(C=C3)OCCCO4)SC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC4=C(C=C3)OCCCO4)SC=C2

InChI

InChI=1S/C18H17N3O4S2/c1-21-17(23)12-5-8-26-16(12)20-18(21)27-10-15(22)19-11-3-4-13-14(9-11)25-7-2-6-24-13/h3-5,8-9H,2,6-7,10H2,1H3,(H,19,22)