N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CCNC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CCNC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O3S/c30-24(27-13-12-18-10-11-22-23(16-18)32-15-14-31-22)17-33-26-21-9-5-4-8-20(21)25(28-29-26)19-6-2-1-3-7-19/h1-11,16H,12-15,17H2,(H,27,30)