N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O3S/c1-29(16-18-11-12-22-23(15-18)32-14-13-31-22)24(30)17-33-26-21-10-6-5-9-20(21)25(27-28-26)19-7-3-2-4-8-19/h2-12,15H,13-14,16-17H2,1H3