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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC=NC4=C3C=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC=NC4=C3C=CS4)OC1

InChI

InChI=1S/C17H15N3O3S2/c21-15(9-25-17-12-4-7-24-16(12)18-10-19-17)20-11-2-3-13-14(8-11)23-6-1-5-22-13/h2-4,7-8,10H,1,5-6,9H2,(H,20,21)