N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C18H16ClN3O3S2 MolecularWeight: 421.92094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O3S2/c19-13-6-11(7-14-16(13)25-4-1-3-24-14)8-20-15(23)9-27-18-12-2-5-26-17(12)21-10-22-18/h2,5-7,10H,1,3-4,8-9H2,(H,20,23)